From d18292467db7ac38efe5b4bb6cb6b52f2f8fd42f Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 24 Jun 2016 17:48:33 +0300 Subject: [PATCH 01/92] move atomic.py and test_atomic.py to io --- tardis/{ => io}/atomic.py | 0 tardis/{ => io}/tests/test_atomic.py | 0 2 files changed, 0 insertions(+), 0 deletions(-) rename tardis/{ => io}/atomic.py (100%) rename tardis/{ => io}/tests/test_atomic.py (100%) diff --git a/tardis/atomic.py b/tardis/io/atomic.py similarity index 100% rename from tardis/atomic.py rename to tardis/io/atomic.py diff --git a/tardis/tests/test_atomic.py b/tardis/io/tests/test_atomic.py similarity index 100% rename from tardis/tests/test_atomic.py rename to tardis/io/tests/test_atomic.py From 4be5f1e5ebf20ad6a07dca9727d1b50534dbb0e5 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 24 Jun 2016 17:57:28 +0300 Subject: [PATCH 02/92] fix imports --- docs/physics/plasma.rst | 3 ++- docs/physics/plasma/plasma_plots/lte_ionization_balance.py | 3 ++- docs/physics/plasma/plasma_plots/nebular_ionization_balance.py | 3 ++- tardis/io/tests/test_atomic.py | 2 +- tardis/plasma/standard_plasmas.py | 2 +- tardis/tests/test_plasma_simple.py | 2 +- tardis/util.py | 2 +- 7 files changed, 10 insertions(+), 7 deletions(-) diff --git a/docs/physics/plasma.rst b/docs/physics/plasma.rst index 3d0c967423a..fb1009d34c4 100644 --- a/docs/physics/plasma.rst +++ b/docs/physics/plasma.rst @@ -45,7 +45,8 @@ setting `BasePlasma.beta_rad` to :math:`\frac{1}{k_\textrm{B}T_\textrm{rad}}`. Here's an example how to instantiate a simple base plasma:: - >>> from tardis import atomic, plasma + >>> from tardis import plasma + >>> from tardis.io import atomic >>> atom_data = atomic.AtomData.from_hdf5() >>> my_plasma = plasma.BasePlasma({'Fe':0.5, 'Ni':0.5}, 10000, 1e-13, atom_data) >>> print my_plasma.abundances diff --git a/docs/physics/plasma/plasma_plots/lte_ionization_balance.py b/docs/physics/plasma/plasma_plots/lte_ionization_balance.py index d2e5bfcd716..699d7ce1f6b 100644 --- a/docs/physics/plasma/plasma_plots/lte_ionization_balance.py +++ b/docs/physics/plasma/plasma_plots/lte_ionization_balance.py @@ -1,7 +1,8 @@ import os from matplotlib import pyplot as plt from matplotlib import colors -from tardis import atomic, plasma_array, util +from tardis import plasma_array, util +from tardis.io import atomic import numpy as np import pandas as pd from astropy import units as u diff --git a/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py b/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py index 5e14b72e4a9..f329ddb1a35 100644 --- a/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py +++ b/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py @@ -1,7 +1,8 @@ import os from matplotlib import colors -from tardis import atomic, plasma_array, util +from tardis import plasma_array, util +from tardis.io import atomic from matplotlib import pyplot as plt import numpy as np diff --git a/tardis/io/tests/test_atomic.py b/tardis/io/tests/test_atomic.py index c009cd03d02..26a7357e29e 100644 --- a/tardis/io/tests/test_atomic.py +++ b/tardis/io/tests/test_atomic.py @@ -1,7 +1,7 @@ import os import pytest from numpy import testing -from tardis import atomic +from tardis.io import atomic @pytest.fixture(scope="module") diff --git a/tardis/plasma/standard_plasmas.py b/tardis/plasma/standard_plasmas.py index a343502206a..85a047c505f 100644 --- a/tardis/plasma/standard_plasmas.py +++ b/tardis/plasma/standard_plasmas.py @@ -4,7 +4,7 @@ import pandas as pd import numpy as np -from tardis import atomic +from tardis.io import atomic from tardis.util import species_string_to_tuple from tardis.plasma import BasePlasma from tardis.plasma.properties.property_collections import (basic_inputs, diff --git a/tardis/tests/test_plasma_simple.py b/tardis/tests/test_plasma_simple.py index e05c062f17b..91660acb2f4 100644 --- a/tardis/tests/test_plasma_simple.py +++ b/tardis/tests/test_plasma_simple.py @@ -2,7 +2,7 @@ import os import pandas as pd import tardis -from tardis import atomic +from tardis.io import atomic import warnings import pytest from tardis.io.util import parse_abundance_dict_to_dataframe diff --git a/tardis/util.py b/tardis/util.py index 31dfbaa32b7..751beb15785 100644 --- a/tardis/util.py +++ b/tardis/util.py @@ -8,7 +8,7 @@ import re import logging -import atomic +from tardis.io import atomic k_B_cgs = constants.k_B.cgs.value From 4610db63dca1da50197e5b6b8145b2036c66b309 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 24 Jun 2016 19:30:12 +0300 Subject: [PATCH 03/92] fix data_path in atomic.py --- tardis/io/atomic.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 84e847617d5..860b7d822f7 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -2,6 +2,7 @@ import os import logging +import tardis import cPickle as pickle from collections import OrderedDict @@ -21,8 +22,8 @@ class AtomDataNotPreparedError(Exception): def data_path(fname): - return os.path.join( - os.path.dirname(os.path.realpath(__file__)), 'data', fname) + tardis_dir = os.path.dirname(os.path.realpath(tardis.__file__)) + return os.path.join(tardis_dir, 'data', fname) default_atom_h5_path = data_path('atom_data.h5') From e45f130c3bae7a1ccbf29fc4ae2ed991b71f39d3 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 27 Jun 2016 11:11:05 +0300 Subject: [PATCH 04/92] fix the imports in conftest --- tardis/conftest.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 298b9d2c6f8..9e57e92923d 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -9,7 +9,7 @@ import tardis import pytest -from tardis.atomic import AtomData +from tardis.io.atomic import AtomData from tardis.io.config_reader import Configuration from tardis.io.util import yaml_load_config_file from tardis.simulation import Simulation From 53a27b42dbd9f91036c2bb3df2e1460bb8becdbd Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 27 Jun 2016 11:31:17 +0300 Subject: [PATCH 05/92] fix links in atomic_data_description --- docs/atomic/atomic_data_description.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docs/atomic/atomic_data_description.rst b/docs/atomic/atomic_data_description.rst index 1b8e94475cd..58a092c85e6 100644 --- a/docs/atomic/atomic_data_description.rst +++ b/docs/atomic/atomic_data_description.rst @@ -3,7 +3,7 @@ ****************************** Atomic Data Format Description ****************************** -.. currentmodule:: tardis.atomic +.. currentmodule:: tardis.io.atomic The atomic data for tardis is stored in `hdf5 files `_. TARDIS ships with a @@ -225,4 +225,4 @@ TO BE BETTER DOCUMENTED ... -.. automodapi:: tardis.atomic +.. automodapi:: tardis.io.atomic From 20d257a96bfc3d53d70bdf1dbecfa3fb5bd708a1 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 27 Jun 2016 11:47:57 +0300 Subject: [PATCH 06/92] fix paths in test_atomic --- tardis/io/tests/test_atomic.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/tardis/io/tests/test_atomic.py b/tardis/io/tests/test_atomic.py index 26a7357e29e..9ae63c50219 100644 --- a/tardis/io/tests/test_atomic.py +++ b/tardis/io/tests/test_atomic.py @@ -6,13 +6,12 @@ @pytest.fixture(scope="module") def default_atom_h5_path(): - return atomic.default_atom_h5_path + return atomic.data_path('atom_data.h5') @pytest.fixture(scope="module") def chianti_he_db_h5_path(): - return os.path.join( - os.path.dirname(os.path.realpath(__file__)), 'data', 'chianti_he_db.h5') + return atomic.data_path('chianti_he_db.h5') def test_data_path(): From afc2103eaa49327d2b74019fb0165a9c2da43f4e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 27 Jun 2016 11:48:16 +0300 Subject: [PATCH 07/92] fix import in test_w7 --- tardis/tests/integration_tests/test_integration.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tardis/tests/integration_tests/test_integration.py b/tardis/tests/integration_tests/test_integration.py index 2733ec6913f..43895aa409c 100644 --- a/tardis/tests/integration_tests/test_integration.py +++ b/tardis/tests/integration_tests/test_integration.py @@ -8,7 +8,7 @@ from numpy.testing import assert_allclose from astropy.tests.helper import assert_quantity_allclose -from tardis.atomic import AtomData +from tardis.io.atomic import AtomData from tardis.simulation import Simulation from tardis.io.config_reader import Configuration @@ -93,7 +93,7 @@ def setup(self, request, reference, data_path, pytestconfig): ) # Load atom data file separately, pass it for forming tardis config. - self.atom_data = AtomData.from_hdf5(atom_data_filepath) + self.atom_data = AtomData.from_hdf(atom_data_filepath) # Check whether the atom data file in current run and the atom data # file used in obtaining the reference data are same. From 88feb168eb6d69a5aa7699eac13c8d010fc79c5e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 27 Jun 2016 12:01:44 +0300 Subject: [PATCH 08/92] implement tests_data_path in atomic --- tardis/io/atomic.py | 5 ++++- tardis/io/tests/test_atomic.py | 2 +- 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 860b7d822f7..ee6c3ae78a0 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -20,11 +20,14 @@ class AtomDataNotPreparedError(Exception): logger = logging.getLogger(__name__) +tardis_dir = os.path.dirname(os.path.realpath(tardis.__file__)) def data_path(fname): - tardis_dir = os.path.dirname(os.path.realpath(tardis.__file__)) return os.path.join(tardis_dir, 'data', fname) +def tests_data_path(fname): + return os.path.join(tardis_dir, 'tests', 'data', fname) + default_atom_h5_path = data_path('atom_data.h5') atomic_symbols_data = np.recfromtxt(data_path('atomic_symbols.dat'), diff --git a/tardis/io/tests/test_atomic.py b/tardis/io/tests/test_atomic.py index 9ae63c50219..97d38fd4fd2 100644 --- a/tardis/io/tests/test_atomic.py +++ b/tardis/io/tests/test_atomic.py @@ -11,7 +11,7 @@ def default_atom_h5_path(): @pytest.fixture(scope="module") def chianti_he_db_h5_path(): - return atomic.data_path('chianti_he_db.h5') + return atomic.tests_data_path('chianti_he_db.h5') def test_data_path(): From 493289f3f00c245f461bdd569b380f06135ca2c9 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 27 Jun 2016 12:29:07 +0300 Subject: [PATCH 09/92] fix import in tardis/base.py --- tardis/base.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/base.py b/tardis/base.py index 8eeb05dca82..7644e2beea7 100644 --- a/tardis/base.py +++ b/tardis/base.py @@ -20,8 +20,8 @@ def run_tardis(config, atom_data=None): [default=None] """ from tardis.io.config_reader import Configuration + from tardis.io.atomic import AtomData from tardis.simulation import Simulation - from tardis.atomic import AtomData if atom_data is not None: try: From b461474145579163d2b0a4f3a08184d0adcf622f Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 12:22:51 +0300 Subject: [PATCH 10/92] refactor from_hdf and __init__ --- tardis/io/atomic.py | 666 ++++++++++++++++++++++---------------------- 1 file changed, 338 insertions(+), 328 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index ee6c3ae78a0..2f43efe7dd2 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -3,14 +3,13 @@ import os import logging import tardis -import cPickle as pickle -from collections import OrderedDict - -import h5py import numpy as np import pandas as pd +import cPickle as pickle + from scipy import interpolate -from astropy import table, units, constants +from astropy import units, constants +from collections import OrderedDict from pandas import DataFrame @@ -37,222 +36,222 @@ def tests_data_path(fname): atomic_symbols_data['atomic_number'])) atomic_number2symbol = OrderedDict(atomic_symbols_data) - -@PendingDeprecationWarning -def read_atomic_data(fname=None): - return read_basic_atom_data(fname) - - -def read_hdf5_data(fname, dset_name): - """This function reads the dataset (dset_name) from the hdf5 file (fname). - In addition it uses the attribute 'units' and parses it to the `~astropy.table.Table` constructor. - - Parameters - ---------- - - fname : `str`, optional - path to atomic.h5 file, if set to None it will read in default data directory - - Returns - ------- - - data : `~astropy.table.Table` - returns the respective - """ - - h5_file = h5py.File(fname, 'r') - dataset = h5_file[dset_name] - data = np.asarray(dataset) - # data_units = dataset.attrs['units'] - - data_table = table.Table(data) - - # for i, col_unit in enumerate(data_units): - # if col_unit == 'n': - # data_table.columns[i].units = None - # elif col_unit == '1': - # data_table.columns[i].units = units.Unit(1) - # else: - # data_table.columns[i].units = units.Unit(col_unit) - - h5_file.close() - - return data_table - - -def read_basic_atom_data(fname=None): - """This function reads the atomic number, symbol, and mass from hdf5 file - - Parameters - ---------- - - fname : `str`, optional - path to atomic.h5 file, if set to None it will read in default data directory - - Returns - ------- - - data : `~astropy.table.Table` - table with fields z[1], symbol, mass[u] - """ - - data_table = read_hdf5_data(fname, 'basic_atom_data') - # data_table.columns['mass'] = units.Unit('u').to('g', data_table['mass']) - - return data_table - - -def read_ionization_data(fname=None): - """This function reads the atomic number, ion number, and ionization energy from hdf5 file - - Parameters - ---------- - - fname : `str`, optional - path to atomic.h5 file, if set to None it will read in default data directory - - Returns - ------- - - data : `~astropy.table.Table` - table with fields z[1], ion[1], ionization_energy[eV] - .. note:: energy from unionized atoms to once-ionized atoms ion = 1, for once ionized - to twice ionized ion=2, etc. - """ - - data_table = read_hdf5_data(fname, 'ionization_data') - #data_table.columns['ionization_energy'] = units.Unit('eV').to('erg', data_table.columns['ionization_energy']) - - return data_table - - -def read_levels_data(fname=None): - """This function reads atomic number, ion number, level_number, energy, g, metastable - information from hdf5 file. - - Parameters - ---------- - - fname : `str`, optional - path to atomic.h5 file, if set to None it will read in default data directory - - Returns - ------- - - data : `~astropy.table.Table` - table with fields z[1], ion[1], level_number, energy, g, metastable - """ - - data_table = read_hdf5_data(fname, 'levels_data') - #data_table.columns['energy'].convert_units_to('erg') - #data_table.columns['energy'] = units.Unit('eV').to('erg', data_table.columns['energy']) - - - return data_table - - -def read_synpp_refs(fname): - data_table = h5py.File(fname, 'r')['synpp_refs'] - - return data_table.__array__() - - -def read_lines_data(fname=None): - """ - This function reads the wavelength, atomic number, ion number, f_ul, f_l and level id information - from hdf5 file - - Parameters - ---------- - - fname : `str`, optional - path to atomic.h5 file, if set to None it will read in default data directory - - Returns - ------- - - data : `~astropy.table.Table` - table with fields wavelength, atomic_number, ion_number, f_ul, f_lu, level_id_lower, level_id_upper. - """ - - data_table = read_hdf5_data(fname, 'lines_data') - #data_table.columns['ionization_energy'].convert_units_to('erg') - - return data_table - - -def read_zeta_data(fname): - """ - This function reads the recombination coefficient data from the HDF5 file - - - :return: - """ - - if fname is None: - raise ValueError('fname can not be "None" when trying to use NebularAtom') - - if not os.path.exists(fname): - raise IOError('HDF5 File doesn\'t exist') - - h5_file = h5py.File(fname, 'r') - - if 'zeta_data' not in h5_file.keys(): - raise ValueError('zeta_data not available in this HDF5-data file. It can not be used with NebularAtomData') - - zeta_data = h5_file['zeta_data'] - t_rads = zeta_data.attrs['t_rad'] - return pd.DataFrame(zeta_data[:,2:], index=pd.MultiIndex.from_arrays(zeta_data[:,:2].transpose().astype(int)), - columns=t_rads) - - -def read_collision_data(fname): - if fname is None: - raise ValueError('fname can not be "None" when trying to use NebularAtom') - - if not os.path.exists(fname): - raise IOError('HDF5 File doesn\'t exist') - - h5_file = h5py.File(fname, 'r') - - if 'collision_data' not in h5_file.keys(): - raise ValueError('collision_data not available in this HDF5-data file. It can not be used with NLTE') - - collision_data = np.array(h5_file['collision_data']) - collision_temperatures = h5_file['collision_data'].attrs['temperatures'] - - return collision_data, collision_temperatures - - -def read_ion_cx_data(fname): - try: - h5_file = h5py.File(fname, 'r') - ion_cx_th_data = h5_file['ionization_cx_threshold'] - ion_cx_sp_data = h5_file['ionization_cx_support'] - return ion_cx_th_data, ion_cx_sp_data - except IOError, err: - print(err.errno) - print(err) - logger.critical('Cannot import. Error opening the file to read ionization_cx') - - -def read_macro_atom_data(fname): - if fname is None: - raise ValueError('fname can not be "None" when trying to use NebularAtom') - - if not os.path.exists(fname): - raise IOError('HDF5 File doesn\'t exist') - - h5_file = h5py.File(fname, 'r') - - if 'macro_atom_data' not in h5_file.keys(): - raise ValueError('Macro Atom Data (macro_atom_data) is not in this HDF5-data file. ' - 'It is needed for complex line interaction') - macro_atom_data = h5_file['macro_atom_data'] - - macro_atom_counts = h5_file['macro_atom_references'] - - return macro_atom_data, macro_atom_counts +# +# @PendingDeprecationWarning +# def read_atomic_data(fname=None): +# return read_basic_atom_data(fname) + + +# def read_hdf5_data(fname, dset_name): +# """This function reads the dataset (dset_name) from the hdf5 file (fname). +# In addition it uses the attribute 'units' and parses it to the `~astropy.table.Table` constructor. +# +# Parameters +# ---------- +# +# fname : `str`, optional +# path to atomic.h5 file, if set to None it will read in default data directory +# +# Returns +# ------- +# +# data : `~astropy.table.Table` +# returns the respective +# """ +# +# h5_file = h5py.File(fname, 'r') +# dataset = h5_file[dset_name] +# data = np.asarray(dataset) +# # data_units = dataset.attrs['units'] +# +# data_table = table.Table(data) +# +# # for i, col_unit in enumerate(data_units): +# # if col_unit == 'n': +# # data_table.columns[i].units = None +# # elif col_unit == '1': +# # data_table.columns[i].units = units.Unit(1) +# # else: +# # data_table.columns[i].units = units.Unit(col_unit) +# +# h5_file.close() +# +# return data_table +# +# +# def read_basic_atom_data(fname=None): +# """This function reads the atomic number, symbol, and mass from hdf5 file +# +# Parameters +# ---------- +# +# fname : `str`, optional +# path to atomic.h5 file, if set to None it will read in default data directory +# +# Returns +# ------- +# +# data : `~astropy.table.Table` +# table with fields z[1], symbol, mass[u] +# """ +# +# data_table = read_hdf5_data(fname, 'basic_atom_data') +# # data_table.columns['mass'] = units.Unit('u').to('g', data_table['mass']) +# +# return data_table +# +# +# def read_ionization_data(fname=None): +# """This function reads the atomic number, ion number, and ionization energy from hdf5 file +# +# Parameters +# ---------- +# +# fname : `str`, optional +# path to atomic.h5 file, if set to None it will read in default data directory +# +# Returns +# ------- +# +# data : `~astropy.table.Table` +# table with fields z[1], ion[1], ionization_energy[eV] +# .. note:: energy from unionized atoms to once-ionized atoms ion = 1, for once ionized +# to twice ionized ion=2, etc. +# """ +# +# data_table = read_hdf5_data(fname, 'ionization_data') +# #data_table.columns['ionization_energy'] = units.Unit('eV').to('erg', data_table.columns['ionization_energy']) +# +# return data_table +# +# +# def read_levels_data(fname=None): +# """This function reads atomic number, ion number, level_number, energy, g, metastable +# information from hdf5 file. +# +# Parameters +# ---------- +# +# fname : `str`, optional +# path to atomic.h5 file, if set to None it will read in default data directory +# +# Returns +# ------- +# +# data : `~astropy.table.Table` +# table with fields z[1], ion[1], level_number, energy, g, metastable +# """ +# +# data_table = read_hdf5_data(fname, 'levels_data') +# #data_table.columns['energy'].convert_units_to('erg') +# #data_table.columns['energy'] = units.Unit('eV').to('erg', data_table.columns['energy']) +# +# +# return data_table +# +# +# def read_synpp_refs(fname): +# data_table = h5py.File(fname, 'r')['synpp_refs'] +# +# return data_table.__array__() +# +# +# def read_lines_data(fname=None): +# """ +# This function reads the wavelength, atomic number, ion number, f_ul, f_l and level id information +# from hdf5 file +# +# Parameters +# ---------- +# +# fname : `str`, optional +# path to atomic.h5 file, if set to None it will read in default data directory +# +# Returns +# ------- +# +# data : `~astropy.table.Table` +# table with fields wavelength, atomic_number, ion_number, f_ul, f_lu, level_id_lower, level_id_upper. +# """ +# +# data_table = read_hdf5_data(fname, 'lines_data') +# #data_table.columns['ionization_energy'].convert_units_to('erg') +# +# return data_table +# +# +# def read_zeta_data(fname): +# """ +# This function reads the recombination coefficient data from the HDF5 file +# +# +# :return: +# """ +# +# if fname is None: +# raise ValueError('fname can not be "None" when trying to use NebularAtom') +# +# if not os.path.exists(fname): +# raise IOError('HDF5 File doesn\'t exist') +# +# h5_file = h5py.File(fname, 'r') +# +# if 'zeta_data' not in h5_file.keys(): +# raise ValueError('zeta_data not available in this HDF5-data file. It can not be used with NebularAtomData') +# +# zeta_data = h5_file['zeta_data'] +# t_rads = zeta_data.attrs['t_rad'] +# return pd.DataFrame(zeta_data[:,2:], index=pd.MultiIndex.from_arrays(zeta_data[:,:2].transpose().astype(int)), +# columns=t_rads) +# +# +# def read_collision_data(fname): +# if fname is None: +# raise ValueError('fname can not be "None" when trying to use NebularAtom') +# +# if not os.path.exists(fname): +# raise IOError('HDF5 File doesn\'t exist') +# +# h5_file = h5py.File(fname, 'r') +# +# if 'collision_data' not in h5_file.keys(): +# raise ValueError('collision_data not available in this HDF5-data file. It can not be used with NLTE') +# +# collision_data = np.array(h5_file['collision_data']) +# collision_temperatures = h5_file['collision_data'].attrs['temperatures'] +# +# return collision_data, collision_temperatures +# +# +# def read_ion_cx_data(fname): +# try: +# h5_file = h5py.File(fname, 'r') +# ion_cx_th_data = h5_file['ionization_cx_threshold'] +# ion_cx_sp_data = h5_file['ionization_cx_support'] +# return ion_cx_th_data, ion_cx_sp_data +# except IOError, err: +# print(err.errno) +# print(err) +# logger.critical('Cannot import. Error opening the file to read ionization_cx') +# +# +# def read_macro_atom_data(fname): +# if fname is None: +# raise ValueError('fname can not be "None" when trying to use NebularAtom') +# +# if not os.path.exists(fname): +# raise IOError('HDF5 File doesn\'t exist') +# +# h5_file = h5py.File(fname, 'r') +# +# if 'macro_atom_data' not in h5_file.keys(): +# raise ValueError('Macro Atom Data (macro_atom_data) is not in this HDF5-data file. ' +# 'It is needed for complex line interaction') +# macro_atom_data = h5_file['macro_atom_data'] +# +# macro_atom_counts = h5_file['macro_atom_references'] +# +# return macro_atom_data, macro_atom_counts class AtomData(object): @@ -310,51 +309,85 @@ def from_hdf5(cls, fname=None): if not os.path.exists(fname): raise ValueError("Supplied Atomic Model Database %s does not exists" % fname) - atom_data = read_basic_atom_data(fname) - ionization_data = read_ionization_data(fname) - levels_data = read_levels_data(fname) - lines_data = read_lines_data(fname) - - with h5py.File(fname, 'r') as h5_file: - h5_datasets = h5_file.keys() - - if 'macro_atom_data' in h5_datasets: - macro_atom_data = read_macro_atom_data(fname) - else: - macro_atom_data = None - - if 'zeta_data' in h5_datasets: - zeta_data = read_zeta_data(fname) - else: - zeta_data = None - - if 'collision_data' in h5_datasets: - collision_data, collision_data_temperatures = read_collision_data(fname) - else: - collision_data, collision_data_temperatures = (None, None) - - if 'synpp_refs' in h5_datasets: - synpp_refs = read_synpp_refs(fname) - else: - synpp_refs = None - - if 'ion_cx_data' in h5_datasets and 'ion_cx_data' in h5_datasets: - ion_cx_data = read_ion_cx_data(fname) - else: - ion_cx_data = None - - atom_data = cls(atom_data=atom_data, ionization_data=ionization_data, levels_data=levels_data, - lines_data=lines_data, macro_atom_data=macro_atom_data, zeta_data=zeta_data, - collision_data=(collision_data, collision_data_temperatures), synpp_refs=synpp_refs, - ion_cx_data=ion_cx_data) - - with h5py.File(fname, 'r') as h5_file: - atom_data.uuid1 = h5_file.attrs['uuid1'] - atom_data.md5 = h5_file.attrs['md5'] - atom_data.version = h5_file.attrs.get('database_version', None) - - if atom_data.version is not None: - atom_data.data_sources = pickle.loads(h5_file.attrs['data_sources']) + with pd.HDFStore(fname) as store: + + try: + basic_atom_df = store["basic_atom_df"] + except KeyError: + print "Basic atom data is not available in this HDF5-data file." + basic_atom_df = None + + try: + ionization_df = store["ionization_df"] + except KeyError: + print "Ionization data is not available in this HDF5-data file." + ionization_df = None + + try: + levels_df = store["levels_df"] + except KeyError: + print "Levels data is not available in this HDF5-data file." + levels_df = None + + try: + lines_df = store["lines_df"] + except KeyError: + print "Lines data is not available in this HDF5-data file" + lines_df = None + + try: + macro_atom_df = store["macro_atom_df"] + except KeyError: + print "Macro atom data is not available in this HDF5-data file." + macro_atom_df = None + + try: + macro_atom_ref_df = store["macro_atom_ref_df"] + except KeyError: + print "Macro atom reference data is not available in this HDF5-data file." + macro_atom_ref_df = None + + try: + zeta_data = store["zeta_data"] + except KeyError: + print "Zeta data is not available in this HDF5-data file." + zeta_data = None + + try: + collisions_df = store["collisions_df"] + collisions_temperatures = store.get_storer("collisions_df").attrs["temperatures"] + except KeyError: + print "Collision data is not available in this HDF5-data file." + collisions_df, collisions_temperatures = (None, None) + + try: + synpp_refs = store["synpp_refs"] + except KeyError: + print "Synpp refs is not available in this HDF5-data file." + synpp_refs = None + + try: + ion_cx_df = store["ion_cx_df"] + except KeyError: + print "Ionization cx data is not available in this HDF5-data file." + ion_cx_df = None + + atom_data = cls(atom_data=basic_atom_df, ionization_data=ionization_df, levels_data=levels_df, + lines_data=lines_df, macro_atom_data=(macro_atom_df, macro_atom_ref_df), zeta_data=zeta_data, + collision_data=(collisions_df, collisions_temperatures), synpp_refs=synpp_refs, + ion_cx_data=ion_cx_df) + + atom_data.uuid1 = store.root._v_args.attrs['uuid1'] + atom_data.md5 = store.root._v_args.attrs['md5'] + + try: + atom_data.version = store.root._v_args.attrs['database_version'] + except KeyError: + atom_data.version = None + + # ToDo: strore data sources as attributes in carsus + # if atom_data.version is not None: + # atom_data.data_sources = pickle.loads(h5_file.attrs['data_sources']) logger.info('Read Atom Data with UUID=%s and MD5=%s', atom_data.uuid1, atom_data.md5) @@ -365,94 +398,71 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.prepared = False + self.atom_data = atom_data + # We have to use constants.u because astropy uses different values for the unit u and the constant. + # This is changed in later versions of astropy (the value of constants.u is used in all cases) + if units.u.cgs == constants.u.cgs: + self.atom_data["mass"] = units.Quantity(self.atom_data["mass"].values, "u").cgs + else: + self.atom_data["mass"] = self.atom_data["mass"].values * constants.u.cgs + + self.ionization_data = ionization_data + self.ionization_data["ionization_energy"] = units.Quantity(self.ionization_data["ionization_energy"].values, "eV").cgs + if levels_data is not None: + self.levels = levels_data + self.levels["energy"] = units.Quantity(self.levels["energy"].values, 'eV').cgs self.has_levels = True else: self.has_levels = False if lines_data is not None: + self.lines['wavelength_cm'] = units.Quantity(self.lines['wavelength'], 'angstrom').cgs self.has_lines = True else: self.has_lines = False if macro_atom_data is not None: + self.macro_atom_data_all, self.macro_atom_references_all = macro_atom_data self.has_macro_atom = True - self.macro_atom_data_all = DataFrame(macro_atom_data[0].__array__()) - self.macro_atom_references_all = DataFrame(macro_atom_data[1].__array__()) else: self.has_macro_atom = False - if ion_cx_data is not None: - self.has_ion_cx_data = True - #TODO:Farm a panda here - self.ion_cx_th_data = DataFrame(np.array(ion_cx_data[0])) - self.ion_cx_th_data.set_index(['atomic_number', 'ion_number', 'level_id'], inplace=True) - - self.ion_cx_sp_data = DataFrame(np.array(ion_cx_data[1])) - self.ion_cx_sp_data.set_index(['atomic_number', 'ion_number', 'level_id']) - else: - self.has_ion_cx_data = False - - if zeta_data is not None: - self.zeta_data = zeta_data - self.has_zeta_data = True - else: - self.has_zeta_data = False + # if ion_cx_data is not None: + # self.has_ion_cx_data = True + # #TODO:Farm a panda here + # self.ion_cx_th_data = DataFrame(np.array(ion_cx_data[0])) + # self.ion_cx_th_data.set_index(['atomic_number', 'ion_number', 'level_id'], inplace=True) + # + # self.ion_cx_sp_data = DataFrame(np.array(ion_cx_data[1])) + # self.ion_cx_sp_data.set_index(['atomic_number', 'ion_number', 'level_id']) + # else: + # self.has_ion_cx_data = False + + # if zeta_data is not None: + # self.zeta_data = zeta_data + # self.has_zeta_data = True + # else: + # self.has_zeta_data = False if collision_data[0] is not None: - self.collision_data = DataFrame(collision_data[0]) - self.collision_data_temperatures = collision_data[1] - self.collision_data.set_index(['atomic_number', 'ion_number', 'level_number_lower', 'level_number_upper'], - inplace=True) - + self.collision_data, self.collision_data_temperatures = collision_data self.has_collision_data = True else: self.has_collision_data = False - if synpp_refs is not None: - self.has_synpp_refs = True - self.synpp_refs = pd.DataFrame(synpp_refs) - self.synpp_refs.set_index(['atomic_number', 'ion_number'], inplace=True) - - else: - self.has_synpp_refs = False - - self.atom_data = DataFrame(atom_data.__array__()) - self.atom_data.set_index('atomic_number', inplace=True) - # We have to use constants.u because astropy uses different values for the unit u and the constant. - # This is changed in later versions of astropy (the value of constants.u is used in all cases) - if units.u.cgs == constants.u.cgs: - self.atom_data.mass = units.Quantity(self.atom_data.mass.values, 'u').cgs - else: - self.atom_data.mass = constants.u.cgs * self.atom_data.mass.values - - self.ionization_data = DataFrame(ionization_data.__array__()) - self.ionization_data.set_index(['atomic_number', 'ion_number'], inplace=True) - self.ionization_data.ionization_energy = units.Quantity(self.ionization_data.ionization_energy.values, 'eV').cgs - - self.levels = DataFrame(levels_data.__array__()) - self.levels.energy = units.Quantity(self.levels.energy.values, 'eV').cgs - - self.lines = DataFrame(lines_data.__array__()) - self.lines['nu'] = units.Quantity(self.lines['wavelength'], 'angstrom').to('Hz', units.spectral()) - self.lines['wavelength_cm'] = units.Quantity(self.lines['wavelength'], 'angstrom').cgs - - - - - #tmp_lines_index = pd.MultiIndex.from_arrays(self.lines) - #self.lines_inde + # if synpp_refs is not None: + # self.has_synpp_refs = True + # self.synpp_refs = pd.DataFrame(synpp_refs) + # self.synpp_refs.set_index(['atomic_number', 'ion_number'], inplace=True) + # + # else: + # self.has_synpp_refs = False self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) - - - self.ion_cx_data = ion_cx_data - - - def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scatter', max_ion_number=None, nlte_species=[]): """ From 2458b9ef45a07becb317c067487a28b81e33b8f7 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 12:23:30 +0300 Subject: [PATCH 11/92] ditch all read functions --- tardis/io/atomic.py | 217 -------------------------------------------- 1 file changed, 217 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 2f43efe7dd2..37fc87bd654 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -36,223 +36,6 @@ def tests_data_path(fname): atomic_symbols_data['atomic_number'])) atomic_number2symbol = OrderedDict(atomic_symbols_data) -# -# @PendingDeprecationWarning -# def read_atomic_data(fname=None): -# return read_basic_atom_data(fname) - - -# def read_hdf5_data(fname, dset_name): -# """This function reads the dataset (dset_name) from the hdf5 file (fname). -# In addition it uses the attribute 'units' and parses it to the `~astropy.table.Table` constructor. -# -# Parameters -# ---------- -# -# fname : `str`, optional -# path to atomic.h5 file, if set to None it will read in default data directory -# -# Returns -# ------- -# -# data : `~astropy.table.Table` -# returns the respective -# """ -# -# h5_file = h5py.File(fname, 'r') -# dataset = h5_file[dset_name] -# data = np.asarray(dataset) -# # data_units = dataset.attrs['units'] -# -# data_table = table.Table(data) -# -# # for i, col_unit in enumerate(data_units): -# # if col_unit == 'n': -# # data_table.columns[i].units = None -# # elif col_unit == '1': -# # data_table.columns[i].units = units.Unit(1) -# # else: -# # data_table.columns[i].units = units.Unit(col_unit) -# -# h5_file.close() -# -# return data_table -# -# -# def read_basic_atom_data(fname=None): -# """This function reads the atomic number, symbol, and mass from hdf5 file -# -# Parameters -# ---------- -# -# fname : `str`, optional -# path to atomic.h5 file, if set to None it will read in default data directory -# -# Returns -# ------- -# -# data : `~astropy.table.Table` -# table with fields z[1], symbol, mass[u] -# """ -# -# data_table = read_hdf5_data(fname, 'basic_atom_data') -# # data_table.columns['mass'] = units.Unit('u').to('g', data_table['mass']) -# -# return data_table -# -# -# def read_ionization_data(fname=None): -# """This function reads the atomic number, ion number, and ionization energy from hdf5 file -# -# Parameters -# ---------- -# -# fname : `str`, optional -# path to atomic.h5 file, if set to None it will read in default data directory -# -# Returns -# ------- -# -# data : `~astropy.table.Table` -# table with fields z[1], ion[1], ionization_energy[eV] -# .. note:: energy from unionized atoms to once-ionized atoms ion = 1, for once ionized -# to twice ionized ion=2, etc. -# """ -# -# data_table = read_hdf5_data(fname, 'ionization_data') -# #data_table.columns['ionization_energy'] = units.Unit('eV').to('erg', data_table.columns['ionization_energy']) -# -# return data_table -# -# -# def read_levels_data(fname=None): -# """This function reads atomic number, ion number, level_number, energy, g, metastable -# information from hdf5 file. -# -# Parameters -# ---------- -# -# fname : `str`, optional -# path to atomic.h5 file, if set to None it will read in default data directory -# -# Returns -# ------- -# -# data : `~astropy.table.Table` -# table with fields z[1], ion[1], level_number, energy, g, metastable -# """ -# -# data_table = read_hdf5_data(fname, 'levels_data') -# #data_table.columns['energy'].convert_units_to('erg') -# #data_table.columns['energy'] = units.Unit('eV').to('erg', data_table.columns['energy']) -# -# -# return data_table -# -# -# def read_synpp_refs(fname): -# data_table = h5py.File(fname, 'r')['synpp_refs'] -# -# return data_table.__array__() -# -# -# def read_lines_data(fname=None): -# """ -# This function reads the wavelength, atomic number, ion number, f_ul, f_l and level id information -# from hdf5 file -# -# Parameters -# ---------- -# -# fname : `str`, optional -# path to atomic.h5 file, if set to None it will read in default data directory -# -# Returns -# ------- -# -# data : `~astropy.table.Table` -# table with fields wavelength, atomic_number, ion_number, f_ul, f_lu, level_id_lower, level_id_upper. -# """ -# -# data_table = read_hdf5_data(fname, 'lines_data') -# #data_table.columns['ionization_energy'].convert_units_to('erg') -# -# return data_table -# -# -# def read_zeta_data(fname): -# """ -# This function reads the recombination coefficient data from the HDF5 file -# -# -# :return: -# """ -# -# if fname is None: -# raise ValueError('fname can not be "None" when trying to use NebularAtom') -# -# if not os.path.exists(fname): -# raise IOError('HDF5 File doesn\'t exist') -# -# h5_file = h5py.File(fname, 'r') -# -# if 'zeta_data' not in h5_file.keys(): -# raise ValueError('zeta_data not available in this HDF5-data file. It can not be used with NebularAtomData') -# -# zeta_data = h5_file['zeta_data'] -# t_rads = zeta_data.attrs['t_rad'] -# return pd.DataFrame(zeta_data[:,2:], index=pd.MultiIndex.from_arrays(zeta_data[:,:2].transpose().astype(int)), -# columns=t_rads) -# -# -# def read_collision_data(fname): -# if fname is None: -# raise ValueError('fname can not be "None" when trying to use NebularAtom') -# -# if not os.path.exists(fname): -# raise IOError('HDF5 File doesn\'t exist') -# -# h5_file = h5py.File(fname, 'r') -# -# if 'collision_data' not in h5_file.keys(): -# raise ValueError('collision_data not available in this HDF5-data file. It can not be used with NLTE') -# -# collision_data = np.array(h5_file['collision_data']) -# collision_temperatures = h5_file['collision_data'].attrs['temperatures'] -# -# return collision_data, collision_temperatures -# -# -# def read_ion_cx_data(fname): -# try: -# h5_file = h5py.File(fname, 'r') -# ion_cx_th_data = h5_file['ionization_cx_threshold'] -# ion_cx_sp_data = h5_file['ionization_cx_support'] -# return ion_cx_th_data, ion_cx_sp_data -# except IOError, err: -# print(err.errno) -# print(err) -# logger.critical('Cannot import. Error opening the file to read ionization_cx') -# -# -# def read_macro_atom_data(fname): -# if fname is None: -# raise ValueError('fname can not be "None" when trying to use NebularAtom') -# -# if not os.path.exists(fname): -# raise IOError('HDF5 File doesn\'t exist') -# -# h5_file = h5py.File(fname, 'r') -# -# if 'macro_atom_data' not in h5_file.keys(): -# raise ValueError('Macro Atom Data (macro_atom_data) is not in this HDF5-data file. ' -# 'It is needed for complex line interaction') -# macro_atom_data = h5_file['macro_atom_data'] -# -# macro_atom_counts = h5_file['macro_atom_references'] -# -# return macro_atom_data, macro_atom_counts - class AtomData(object): """ From 0e806b5b461ea14c2ba931662bd0479c1d4f7eed Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 12:24:23 +0300 Subject: [PATCH 12/92] ditch symbol2atomic_number --- tardis/io/atomic.py | 7 ------- 1 file changed, 7 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 37fc87bd654..fa929c372ce 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -29,13 +29,6 @@ def tests_data_path(fname): default_atom_h5_path = data_path('atom_data.h5') -atomic_symbols_data = np.recfromtxt(data_path('atomic_symbols.dat'), - names=['atomic_number', 'symbol']) - -symbol2atomic_number = OrderedDict(zip(atomic_symbols_data['symbol'], - atomic_symbols_data['atomic_number'])) -atomic_number2symbol = OrderedDict(atomic_symbols_data) - class AtomData(object): """ From b57f59c263628765c0a53c5f70b12842909a4767 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 14:20:08 +0300 Subject: [PATCH 13/92] write better docstrings --- tardis/io/atomic.py | 87 ++++++++++++++++++++++++++++----------------- 1 file changed, 54 insertions(+), 33 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index fa929c372ce..043a195d43e 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -21,62 +21,85 @@ class AtomDataNotPreparedError(Exception): tardis_dir = os.path.dirname(os.path.realpath(tardis.__file__)) + def data_path(fname): return os.path.join(tardis_dir, 'data', fname) + def tests_data_path(fname): return os.path.join(tardis_dir, 'tests', 'data', fname) default_atom_h5_path = data_path('atom_data.h5') + class AtomData(object): """ Class for storing atomic data - AtomData - --------- - Parameters ---------- - - basic_atom_data : `~astropy.table.Table` - containing the basic atom data: z, symbol, and mass - - ionization_data : ~astropy.table.Table - containing the ionization data: z, ion, and ionization energy - ::important to note here is that ion describes the final ion state - e.g. H I - H II is described with ion=2 - - levels : ~astropy.table.Table - containing the levels data: z, ion, level_number, energy, g - - lines : ~astropy.table.Table - containing the lines data: wavelength, z, ion, levels_number_lower, - levels_number_upper, f_lu, f_ul - - macro_atom_data : tuple of ~astropy.table.Table - default ~None, a tuple of the macro-atom data and macro-atom references - - zeta_data : ~dict of interpolation objects - default ~None + atom_data: pandas.DataFrame + A DataFrame containing the *basic atomic data* with: + index: atomic_number; + columns: symbol, name, mass[u]. + + ionization_data: pandas.DataFrame + A DataFrame containing the *ionization data* with: + index: atomic_number, ion_number; + columns: ionization_energy[eV]. + + It is important to note here is that `ion_number` describes the *final ion state* + e.g. H I - H II is described with ion=1 + + levels_data: pandas.DataFrame + A DataFrame containing the *levels data* with: + index: atomic_number, ion_number, level_number; + columns: level_id, energy[eV], g[1], metastable. + + lines_data: pandas.DataFrame + A DataFrame containing the *lines data* with: + index: atomic_number, ion_number, level_number_lower, level_number_upper; + columns: wavelength[angstrom], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. + + macro_atom_data: (pandas.DataFrame, pandas.DataFrame) + A tuple containing a DataFrame with the *macro atom data* with: + index: atomic_number, ion_number, source_level_number, destination_level_number; + columns: transition_line_id, transition_type, transition_probability; + and a DataFrame with the *macro atom references* with: + index: atomic_number, ion_number, source_level_number; + columns: level_id, count_down, count_up, count_total. + + Refer to the docs: http://tardis.readthedocs.io/en/latest/physics/plasma/macroatom.html + + collision_data: (pandas.DataFrame, np.array) + A tuple containing a DataFrame with the *electron collisions data* with: + index: atomic_number, ion_number, level_number_lower, level_number_upper; + columns: e_col_id, delta_e, g_ratio, c_ul; + and an array with the collision temperatures. + + zeta_data: ? + synpp_refs: ? + ion_cx_data: ? + + Notes + ------ + 1. The units of some columns are given in the square brackets. They are **NOT** the parts of columns' names! """ @classmethod - def from_hdf5(cls, fname=None): + def from_hdfstore(cls, fname=None): """ - Function to read all the atom data from a special TARDIS HDF5 File. + Function to read all the atom data from the special Carsus HDFStore file. Parameters ---------- fname: str, optional - the default for this is `None` and then it will use the very limited atomic_data shipped with TARDIS - For more complex atomic data please contact the authors. - - use_macro_atom: - default `False`. Set to `True`, if you want to read in macro_atom_data + The path to the HDFStore file. If set to `None` the default file with limited atomic_data + shipped with TARDIS will be used. For more complex atomic data please contact the authors. + (default: None) """ if fname is None: @@ -238,7 +261,6 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) - def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scatter', max_ion_number=None, nlte_species=[]): """ @@ -374,7 +396,6 @@ def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scat self.nlte_data = NLTEData(self, nlte_species) - def __repr__(self): return "" % \ (self.uuid1, self.md5, self.lines.atomic_number.count(), self.levels.energy.count()) From aa2f002531147564bedbbd499b92ea19cb591cf9 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 14:21:13 +0300 Subject: [PATCH 14/92] set lines attr in __init__ --- tardis/io/atomic.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 043a195d43e..1fe8cf5926d 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -216,6 +216,7 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.has_levels = False if lines_data is not None: + self.lines = lines_data self.lines['wavelength_cm'] = units.Quantity(self.lines['wavelength'], 'angstrom').cgs self.has_lines = True else: From 533e51ad1f043b10b35e4f79e8b15c58d0244789 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 14:23:23 +0300 Subject: [PATCH 15/92] fix a typo with _v_attrs --- tardis/io/atomic.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 1fe8cf5926d..e1acae3f507 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -176,11 +176,11 @@ def from_hdfstore(cls, fname=None): collision_data=(collisions_df, collisions_temperatures), synpp_refs=synpp_refs, ion_cx_data=ion_cx_df) - atom_data.uuid1 = store.root._v_args.attrs['uuid1'] - atom_data.md5 = store.root._v_args.attrs['md5'] + atom_data.uuid1 = store.root._v_attrs['uuid1'] + atom_data.md5 = store.root._v_attrs['md5'] try: - atom_data.version = store.root._v_args.attrs['database_version'] + atom_data.version = store.root._v_attrs['database_version'] except KeyError: atom_data.version = None From b111f8a5a5973dc78f75e578d0ca4dbbc9e5eadb Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 14:32:43 +0300 Subject: [PATCH 16/92] add attributes and methods to AtomData's docstring --- tardis/io/atomic.py | 20 ++++++++++++++++++++ 1 file changed, 20 insertions(+) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index e1acae3f507..51485a1ed2e 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -82,6 +82,26 @@ class AtomData(object): synpp_refs: ? ion_cx_data: ? + Attributes + ------------- + prepared: bool + has_levels: bool + has_lines: bool + has_macro_atom: bool + atom_data: pandas.DataFrame + ionization_data: pandas.DataFrame + macro_atom_data_all: pandas.DataFrame + macro_atom_references_all: pandas.DataFrame + collision_data: pandas.DataFrame + collision_data_temperatures: numpy.array + symbol2atomic_number: OrderedDict + atomic_number2symbol OrderedDict + + Methods + -------- + from_hdfstore + prepare_atom_data + Notes ------ 1. The units of some columns are given in the square brackets. They are **NOT** the parts of columns' names! From 7e6021a00ec4a7f4675dc4dcadb1fbec19ef72f0 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 14:51:24 +0300 Subject: [PATCH 17/92] add attributes in the else clauses --- tardis/io/atomic.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 51485a1ed2e..0466f6bf83a 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -233,6 +233,7 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.levels["energy"] = units.Quantity(self.levels["energy"].values, 'eV').cgs self.has_levels = True else: + self.levels = None self.has_levels = False if lines_data is not None: @@ -240,12 +241,15 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.lines['wavelength_cm'] = units.Quantity(self.lines['wavelength'], 'angstrom').cgs self.has_lines = True else: + self.lines = None self.has_lines = False if macro_atom_data is not None: self.macro_atom_data_all, self.macro_atom_references_all = macro_atom_data self.has_macro_atom = True else: + self.macro_atom_data_all = None + self.macro_atom_references_all = None self.has_macro_atom = False # if ion_cx_data is not None: @@ -269,6 +273,8 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.collision_data, self.collision_data_temperatures = collision_data self.has_collision_data = True else: + self.collision_data = None + self.collision_data_temperatures = None self.has_collision_data = False # if synpp_refs is not None: From 2537725c1ef24a475bb6eef8498990c2277a0a69 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 17:42:09 +0300 Subject: [PATCH 18/92] change _df to _data --- tardis/io/atomic.py | 42 +++++++++++++++++++++--------------------- 1 file changed, 21 insertions(+), 21 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 0466f6bf83a..fe6cb3d93d3 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -131,40 +131,40 @@ def from_hdfstore(cls, fname=None): with pd.HDFStore(fname) as store: try: - basic_atom_df = store["basic_atom_df"] + basic_atom_data = store["basic_atom_df"] except KeyError: print "Basic atom data is not available in this HDF5-data file." - basic_atom_df = None + basic_atom_data = None try: - ionization_df = store["ionization_df"] + ionization_data = store["ionization_df"] except KeyError: print "Ionization data is not available in this HDF5-data file." - ionization_df = None + ionization_data = None try: - levels_df = store["levels_df"] + levels_data = store["levels_df"] except KeyError: print "Levels data is not available in this HDF5-data file." - levels_df = None + levels_data = None try: - lines_df = store["lines_df"] + lines_data = store["lines_df"] except KeyError: print "Lines data is not available in this HDF5-data file" - lines_df = None + lines_data = None try: - macro_atom_df = store["macro_atom_df"] + macro_atom_data = store["macro_atom_df"] except KeyError: print "Macro atom data is not available in this HDF5-data file." - macro_atom_df = None + macro_atom_data = None try: - macro_atom_ref_df = store["macro_atom_ref_df"] + macro_atom_ref = store["macro_atom_ref_df"] except KeyError: print "Macro atom reference data is not available in this HDF5-data file." - macro_atom_ref_df = None + macro_atom_ref = None try: zeta_data = store["zeta_data"] @@ -173,11 +173,11 @@ def from_hdfstore(cls, fname=None): zeta_data = None try: - collisions_df = store["collisions_df"] - collisions_temperatures = store.get_storer("collisions_df").attrs["temperatures"] + collision_data = store["collisions_df"] + collision_temperatures = store.get_storer("collisions_df").attrs["temperatures"] except KeyError: print "Collision data is not available in this HDF5-data file." - collisions_df, collisions_temperatures = (None, None) + collision_data, collision_temperatures = (None, None) try: synpp_refs = store["synpp_refs"] @@ -186,15 +186,15 @@ def from_hdfstore(cls, fname=None): synpp_refs = None try: - ion_cx_df = store["ion_cx_df"] + ion_cx_data = store["ion_cx_data"] except KeyError: print "Ionization cx data is not available in this HDF5-data file." - ion_cx_df = None + ion_cx_data = None - atom_data = cls(atom_data=basic_atom_df, ionization_data=ionization_df, levels_data=levels_df, - lines_data=lines_df, macro_atom_data=(macro_atom_df, macro_atom_ref_df), zeta_data=zeta_data, - collision_data=(collisions_df, collisions_temperatures), synpp_refs=synpp_refs, - ion_cx_data=ion_cx_df) + atom_data = cls(atom_data=basic_atom_data, ionization_data=ionization_data, levels_data=levels_data, + lines_data=lines_data, macro_atom_data=(macro_atom_data, macro_atom_ref), zeta_data=zeta_data, + collision_data=(collision_data, collision_temperatures), synpp_refs=synpp_refs, + ion_cx_data=ion_cx_data) atom_data.uuid1 = store.root._v_attrs['uuid1'] atom_data.md5 = store.root._v_attrs['md5'] From dc7f4cf2fb2663b8e327e98388356a7ca885fbc0 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 28 Jun 2016 20:17:44 +0300 Subject: [PATCH 19/92] change the description of the dataframes to comply with the old ones --- tardis/io/atomic.py | 18 ++++++++++-------- 1 file changed, 10 insertions(+), 8 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index fe6cb3d93d3..b67eddd8e00 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -54,21 +54,23 @@ class AtomData(object): levels_data: pandas.DataFrame A DataFrame containing the *levels data* with: - index: atomic_number, ion_number, level_number; - columns: level_id, energy[eV], g[1], metastable. + index: no index; + columns: atomic_number, ion_number, level_number, energy[eV], g[1], metastable. lines_data: pandas.DataFrame A DataFrame containing the *lines data* with: - index: atomic_number, ion_number, level_number_lower, level_number_upper; - columns: wavelength[angstrom], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. + index: no index; + columns: line_id, atomic_number, ion_number, level_number_lower, level_number_upper, + wavelength[angstrom], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. macro_atom_data: (pandas.DataFrame, pandas.DataFrame) A tuple containing a DataFrame with the *macro atom data* with: - index: atomic_number, ion_number, source_level_number, destination_level_number; - columns: transition_line_id, transition_type, transition_probability; + index: no_index; + columns: atomic_number, ion_number, source_level_number, destination_level_number, + transition_line_id, transition_type, transition_probability; and a DataFrame with the *macro atom references* with: - index: atomic_number, ion_number, source_level_number; - columns: level_id, count_down, count_up, count_total. + index: no_index; + columns: atomic_number, ion_number, source_level_number, count_down, count_up, count_total. Refer to the docs: http://tardis.readthedocs.io/en/latest/physics/plasma/macroatom.html From 64e90870dc5a0ff734ba7bad791220b54cf10233 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 30 Jun 2016 13:31:22 +0300 Subject: [PATCH 20/92] return symbol2atomic_number and atomic_number2symbol --- tardis/io/atomic.py | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index b67eddd8e00..c0dfb64e89d 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -32,6 +32,13 @@ def tests_data_path(fname): default_atom_h5_path = data_path('atom_data.h5') +atomic_symbols_data = np.recfromtxt(data_path('atomic_symbols.dat'), + names=['atomic_number', 'symbol']) + +symbol2atomic_number = OrderedDict(zip(atomic_symbols_data['symbol'], + atomic_symbols_data['atomic_number'])) +atomic_number2symbol = OrderedDict(atomic_symbols_data) + class AtomData(object): """ From a24409fa12827a466d56248f31331a01c0fd5d95 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 1 Jul 2016 14:32:46 +0300 Subject: [PATCH 21/92] uncomment zeta_data, synpp_refs and ion_cx_data --- tardis/io/atomic.py | 47 +++++++++++++++++++++++---------------------- 1 file changed, 24 insertions(+), 23 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index c0dfb64e89d..d80c226f2fb 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -261,22 +261,23 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.macro_atom_references_all = None self.has_macro_atom = False - # if ion_cx_data is not None: - # self.has_ion_cx_data = True - # #TODO:Farm a panda here - # self.ion_cx_th_data = DataFrame(np.array(ion_cx_data[0])) - # self.ion_cx_th_data.set_index(['atomic_number', 'ion_number', 'level_id'], inplace=True) - # - # self.ion_cx_sp_data = DataFrame(np.array(ion_cx_data[1])) - # self.ion_cx_sp_data.set_index(['atomic_number', 'ion_number', 'level_id']) - # else: - # self.has_ion_cx_data = False - - # if zeta_data is not None: - # self.zeta_data = zeta_data - # self.has_zeta_data = True - # else: - # self.has_zeta_data = False + if ion_cx_data is not None: + self.has_ion_cx_data = True + #TODO:Farm a panda here + self.ion_cx_th_data = DataFrame(np.array(ion_cx_data[0])) + self.ion_cx_th_data.set_index(['atomic_number', 'ion_number', 'level_id'], inplace=True) + + self.ion_cx_sp_data = DataFrame(np.array(ion_cx_data[1])) + self.ion_cx_sp_data.set_index(['atomic_number', 'ion_number', 'level_id']) + else: + self.has_ion_cx_data = False + + if zeta_data is not None: + self.zeta_data = zeta_data + self.has_zeta_data = True + else: + self.zeta_data = None + self.has_zeta_data = False if collision_data[0] is not None: self.collision_data, self.collision_data_temperatures = collision_data @@ -286,13 +287,13 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.collision_data_temperatures = None self.has_collision_data = False - # if synpp_refs is not None: - # self.has_synpp_refs = True - # self.synpp_refs = pd.DataFrame(synpp_refs) - # self.synpp_refs.set_index(['atomic_number', 'ion_number'], inplace=True) - # - # else: - # self.has_synpp_refs = False + if synpp_refs is not None: + self.has_synpp_refs = True + self.synpp_refs = pd.DataFrame(synpp_refs) + self.synpp_refs.set_index(['atomic_number', 'ion_number'], inplace=True) + + else: + self.has_synpp_refs = False self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) From c7c2e990164ad81f08414c7d4f5d8446043faa07 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 1 Jul 2016 14:46:23 +0300 Subject: [PATCH 22/92] remove conversion to cgs units --- tardis/io/atomic.py | 18 ++++-------------- 1 file changed, 4 insertions(+), 14 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index d80c226f2fb..5acd140ba4b 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -49,12 +49,12 @@ class AtomData(object): atom_data: pandas.DataFrame A DataFrame containing the *basic atomic data* with: index: atomic_number; - columns: symbol, name, mass[u]. + columns: symbol, name, mass[CGS]. ionization_data: pandas.DataFrame A DataFrame containing the *ionization data* with: index: atomic_number, ion_number; - columns: ionization_energy[eV]. + columns: ionization_energy[CGS]. It is important to note here is that `ion_number` describes the *final ion state* e.g. H I - H II is described with ion=1 @@ -62,13 +62,13 @@ class AtomData(object): levels_data: pandas.DataFrame A DataFrame containing the *levels data* with: index: no index; - columns: atomic_number, ion_number, level_number, energy[eV], g[1], metastable. + columns: atomic_number, ion_number, level_number, energy[CGS], g[1], metastable. lines_data: pandas.DataFrame A DataFrame containing the *lines data* with: index: no index; columns: line_id, atomic_number, ion_number, level_number_lower, level_number_upper, - wavelength[angstrom], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. + wavelength[angstrom], wavelength_cm[CGS], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. macro_atom_data: (pandas.DataFrame, pandas.DataFrame) A tuple containing a DataFrame with the *macro atom data* with: @@ -227,19 +227,10 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.prepared = False self.atom_data = atom_data - # We have to use constants.u because astropy uses different values for the unit u and the constant. - # This is changed in later versions of astropy (the value of constants.u is used in all cases) - if units.u.cgs == constants.u.cgs: - self.atom_data["mass"] = units.Quantity(self.atom_data["mass"].values, "u").cgs - else: - self.atom_data["mass"] = self.atom_data["mass"].values * constants.u.cgs - self.ionization_data = ionization_data - self.ionization_data["ionization_energy"] = units.Quantity(self.ionization_data["ionization_energy"].values, "eV").cgs if levels_data is not None: self.levels = levels_data - self.levels["energy"] = units.Quantity(self.levels["energy"].values, 'eV').cgs self.has_levels = True else: self.levels = None @@ -247,7 +238,6 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at if lines_data is not None: self.lines = lines_data - self.lines['wavelength_cm'] = units.Quantity(self.lines['wavelength'], 'angstrom').cgs self.has_lines = True else: self.lines = None From f5fe6354c953a2db154855ee59b24716102a323b Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 1 Jul 2016 16:27:28 +0300 Subject: [PATCH 23/92] remove set multiindex for synpp_refs --- tardis/io/atomic.py | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 5acd140ba4b..74dbd25a70e 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -278,11 +278,10 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.has_collision_data = False if synpp_refs is not None: + self.synpp_refs = synpp_refs self.has_synpp_refs = True - self.synpp_refs = pd.DataFrame(synpp_refs) - self.synpp_refs.set_index(['atomic_number', 'ion_number'], inplace=True) - else: + self.synpp_refs = None self.has_synpp_refs = False self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) From 372c77ca6d79032f03075d93c7a5b8170bc77d77 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 1 Jul 2016 19:00:58 +0300 Subject: [PATCH 24/92] change from_hdfstore and md5 in the kurucz_atomic_data fixture --- tardis/conftest.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 9e57e92923d..ed61fb3c804 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -109,7 +109,7 @@ def atomic_dataset(atomic_data_fname): atomic_data = AtomData.from_hdf5(atomic_data_fname) if atomic_data.md5 != '21095dd25faa1683f4c90c911a00c3f8': pytest.skip('Need default Kurucz atomic dataset ' - '(md5="21095dd25faa1683f4c90c911a00c3f8"') + '(md5="06709f04d369f07c58e01a7d0f34bd10"') else: return atomic_data From 9f99941e311aad201e4214444c63b70432e3a659 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 4 Jul 2016 15:16:20 +0300 Subject: [PATCH 25/92] download kurucz_cd23_chianti_H_He.h5 from carsus-db --- .travis.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.travis.yml b/.travis.yml index 1296fdb0cbb..76f15b8f41a 100644 --- a/.travis.yml +++ b/.travis.yml @@ -79,6 +79,7 @@ before_install: - if [[ $TEST_MODE == 'spectrum' ]]; then cd $TRAVIS_BUILD_DIR; fi install: + - cd $TRAVIS_BUILD_DIR - conda env create -f tardis_env27.yml - source activate tardis From dc517fbe276f4478bd721dc20751c83824cb1c28 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Wed, 6 Jul 2016 11:53:27 +0300 Subject: [PATCH 26/92] change the dataframes names in the hdfstore --- tardis/io/atomic.py | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 74dbd25a70e..b7087096cba 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -140,37 +140,37 @@ def from_hdfstore(cls, fname=None): with pd.HDFStore(fname) as store: try: - basic_atom_data = store["basic_atom_df"] + basic_atom_data = store["atom_masses"] except KeyError: print "Basic atom data is not available in this HDF5-data file." basic_atom_data = None try: - ionization_data = store["ionization_df"] + ionization_data = store["ionization_energies"] except KeyError: print "Ionization data is not available in this HDF5-data file." ionization_data = None try: - levels_data = store["levels_df"] + levels_data = store["levels"] except KeyError: print "Levels data is not available in this HDF5-data file." levels_data = None try: - lines_data = store["lines_df"] + lines_data = store["lines"] except KeyError: print "Lines data is not available in this HDF5-data file" lines_data = None try: - macro_atom_data = store["macro_atom_df"] + macro_atom_data = store["macro_atom"] except KeyError: print "Macro atom data is not available in this HDF5-data file." macro_atom_data = None try: - macro_atom_ref = store["macro_atom_ref_df"] + macro_atom_ref = store["macro_atom_references"] except KeyError: print "Macro atom reference data is not available in this HDF5-data file." macro_atom_ref = None @@ -182,8 +182,8 @@ def from_hdfstore(cls, fname=None): zeta_data = None try: - collision_data = store["collisions_df"] - collision_temperatures = store.get_storer("collisions_df").attrs["temperatures"] + collision_data = store["collisions"] + collision_temperatures = store.get_storer("collisions").attrs["temperatures"] except KeyError: print "Collision data is not available in this HDF5-data file." collision_data, collision_temperatures = (None, None) From 1f4ee7b471ebd31ae1a747e959ab1a2a2569c5c0 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 12:27:56 +0300 Subject: [PATCH 27/92] Rewrite AtomData.prepare_atom_data This commit ensures that all DataFrames that are attributes of `AtomData` are copies and *not views*. This way the issues with the C code are avoided (later we need to check how the data is passed to the C code). Also, some statements are rewritten to correspond to pandas guidelines and PEP style. --- tardis/io/atomic.py | 128 ++++++++++++++++++++++---------------------- 1 file changed, 63 insertions(+), 65 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index b7087096cba..fb2cc3af044 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -316,109 +316,107 @@ def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scat self.nlte_species = nlte_species self.levels = self.levels.reset_index(drop=True) - self.levels = self.levels[self.levels['atomic_number'].isin(self.selected_atomic_numbers)] + self.levels = self.levels.loc[self.levels['atomic_number'].isin(self.selected_atomic_numbers)].copy() if max_ion_number is not None: - self.levels = self.levels[self.levels['ion_number'] <= max_ion_number] + self.levels = self.levels.loc[self.levels['ion_number'] <= max_ion_number].copy() self.levels = self.levels.set_index(['atomic_number', 'ion_number', 'level_number']) - self.levels_index = pd.Series(np.arange(len(self.levels), dtype=int), index=self.levels.index) #cutting levels_lines - self.lines = self.lines[self.lines['atomic_number'].isin(self.selected_atomic_numbers)] + self.lines = self.lines.loc[self.lines['atomic_number'].isin(self.selected_atomic_numbers)].copy() if max_ion_number is not None: - self.lines = self.lines[self.lines['ion_number'] <= max_ion_number] + self.lines = self.lines.loc[self.lines['ion_number'] <= max_ion_number].copy() # self.lines.sort(['wavelength', 'line_id'], inplace=True) self.lines.sort_values(by='wavelength', inplace=True) self.lines.set_index('line_id', inplace=True) - - self.lines_index = pd.Series(np.arange(len(self.lines), dtype=int), index=self.lines.index) - tmp_lines_lower2level_idx = pd.MultiIndex.from_arrays([self.lines['atomic_number'], self.lines['ion_number'], - self.lines['level_number_lower']]) + tmp_lines_lower2level_idx = pd.MultiIndex.from_arrays([ + self.lines['atomic_number'], self.lines['ion_number'],self.lines['level_number_lower'] + ]) - self.lines_lower2level_idx = self.levels_index.ix[tmp_lines_lower2level_idx].values.astype(np.int64) + self.lines_lower2level_idx = self.levels_index.ix[tmp_lines_lower2level_idx].astype(np.int64).values - tmp_lines_upper2level_idx = pd.MultiIndex.from_arrays([self.lines['atomic_number'], self.lines['ion_number'], - self.lines['level_number_upper']]) + tmp_lines_upper2level_idx = pd.MultiIndex.from_arrays([ + self.lines['atomic_number'], self.lines['ion_number'], self.lines['level_number_upper'] + ]) - self.lines_upper2level_idx = self.levels_index.ix[tmp_lines_upper2level_idx].values.astype(np.int64) + self.lines_upper2level_idx = self.levels_index.ix[tmp_lines_upper2level_idx].astype(np.int64).values self.atom_ion_index = None self.levels_index2atom_ion_index = None if self.has_macro_atom and not (line_interaction_type == 'scatter'): - self.macro_atom_data = self.macro_atom_data_all[ - self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers)] + + self.macro_atom_data = self.macro_atom_data_all.loc[ + self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers) + ].copy() if max_ion_number is not None: - self.macro_atom_data = self.macro_atom_data[self.macro_atom_data['ion_number'] <= max_ion_number] + self.macro_atom_data = self.macro_atom_data.loc[ + self.macro_atom_data['ion_number'] <= max_ion_number + ].copy() + + self.macro_atom_references = self.macro_atom_references_all.loc[ + self.macro_atom_references_all['atomic_number'].isin(self.selected_atomic_numbers) + ].copy() - self.macro_atom_references = self.macro_atom_references_all[ - self.macro_atom_references_all['atomic_number'].isin( - self.selected_atomic_numbers)] if max_ion_number is not None: - self.macro_atom_references = self.macro_atom_references[ - self.macro_atom_references['ion_number'] <= max_ion_number] + self.macro_atom_references = self.macro_atom_references.loc[ + self.macro_atom_references['ion_number'] <= max_ion_number + ].copy() if line_interaction_type == 'downbranch': - self.macro_atom_data = self.macro_atom_data[(self.macro_atom_data['transition_type'] == -1).values] + self.macro_atom_data = self.macro_atom_data.loc[ + self.macro_atom_data['transition_type'] == -1 + ].copy() + self.macro_atom_references = self.macro_atom_references.loc[ + self.macro_atom_references['count_down'] > 0 + ].copy() + self.macro_atom_references.loc[:, 'count_total'] = self.macro_atom_references['count_down'] + self.macro_atom_references.loc[:, 'block_references'] = np.hstack( + (0, np.cumsum(self.macro_atom_references['count_down'].values[:-1])) + ) - self.macro_atom_references = self.macro_atom_references[self.macro_atom_references['count_down'] > 0] - self.macro_atom_references['count_total'] = self.macro_atom_references['count_down'] - self.macro_atom_references['block_references'] = np.hstack((0, - np.cumsum(self.macro_atom_references[ - 'count_down'].values[:-1]))) elif line_interaction_type == 'macroatom': - block_references = np.hstack((0, np.cumsum( - self.macro_atom_references['count_total'].values[:-1]))) - self.macro_atom_references.insert(len( - self.macro_atom_references.columns), 'block_references', - pd.Series(block_references, - index=self.macro_atom_references.index)) - - self.macro_atom_references.set_index(['atomic_number', 'ion_number', 'source_level_number'], inplace=True) - self.macro_atom_references.insert(len( - self.macro_atom_references.columns), 'references_idx', - pd.Series(np.arange(len(self.macro_atom_references)), - index=self.macro_atom_references.index)) - - self.macro_atom_data.insert(len( - self.macro_atom_data.columns), 'lines_idx', - pd.Series(self.lines_index.ix[self.macro_atom_data[ - 'transition_line_id']].values, - index=self.macro_atom_data.index)) - - tmp_lines_upper2level_idx = pd.MultiIndex.from_arrays( - [self.lines['atomic_number'], self.lines['ion_number'], - self.lines['level_number_upper']]) - - self.lines_upper2macro_reference_idx = self.macro_atom_references['references_idx'].ix[ - tmp_lines_upper2level_idx].values.astype(np.int64) - - tmp_macro_destination_level_idx = pd.MultiIndex.from_arrays([self.macro_atom_data['atomic_number'], - self.macro_atom_data['ion_number'], - self.macro_atom_data[ - 'destination_level_number']]) + self.macro_atom_references.loc[:, 'block_references'] = np.hstack( + (0, np.cumsum(self.macro_atom_references['count_total'].values[:-1])) + ) + + self.macro_atom_references = self.macro_atom_references.set_index( + ['atomic_number', 'ion_number', 'source_level_number'] + ) + + self.macro_atom_references.loc[:, "references_idx"] = np.arange(len(self.macro_atom_references)) + + self.macro_atom_data.loc[:, "lines_idx"] = self.lines_index.ix[ + self.macro_atom_data['transition_line_id'] + ].values + + self.lines_upper2macro_reference_idx = self.macro_atom_references.ix[ + tmp_lines_upper2level_idx, 'references_idx' + ].astype(np.int64).values if line_interaction_type == 'macroatom': - #Sets all + # Sets all + tmp_macro_destination_level_idx = pd.MultiIndex.from_arrays([ + self.macro_atom_data['atomic_number'], + self.macro_atom_data['ion_number'], + self.macro_atom_data['destination_level_number'] + ]) - self.macro_atom_data.insert(len( - self.macro_atom_data.columns), 'destination_level_idx', - pd.Series(self.macro_atom_references['references_idx'].ix[ - tmp_macro_destination_level_idx].values.astype( - np.int64), index=self.macro_atom_data.index)) + self.macro_atom_data.loc[:, 'destination_level_idx'] = self.macro_atom_references.ix[ + tmp_macro_destination_level_idx, "references_idx" + ].astype(np.int64).values # why it is named `destination_level_idx` ?! It is reference index elif line_interaction_type == 'downbranch': # Sets all the destination levels to -1 to indicate that they # are not used in downbranch calculations - self.macro_atom_data.loc[:, 'destination_level_idx'] = ( - np.ones(len(self.macro_atom_data)) * -1).astype(np.int64) + self.macro_atom_data.loc[:, 'destination_level_idx'] = -1 self.nlte_data = NLTEData(self, nlte_species) From 920d603c3b1c4a389b027f60471db349fcc8df85 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 14:08:08 +0300 Subject: [PATCH 28/92] Change from_hdfstore to from_hdf --- tardis/io/atomic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index fb2cc3af044..b6f158fc909 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -118,7 +118,7 @@ class AtomData(object): """ @classmethod - def from_hdfstore(cls, fname=None): + def from_hdf(cls, fname=None): """ Function to read all the atom data from the special Carsus HDFStore file. From 384e36398cda8e200867219e3006d90fe55d911a Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 15:37:17 +0300 Subject: [PATCH 29/92] Restructure AtomData.__init__ - Remove tuples from the init parameters - Change names to correspond the old attributes --- tardis/io/atomic.py | 87 ++++++++++++++++++++++++++------------------- 1 file changed, 50 insertions(+), 37 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index b6f158fc909..6889e8d7bc2 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -140,40 +140,40 @@ def from_hdf(cls, fname=None): with pd.HDFStore(fname) as store: try: - basic_atom_data = store["atom_masses"] + atom_data = store["atom_data"] except KeyError: - print "Basic atom data is not available in this HDF5-data file." - basic_atom_data = None + print "Atom data is not available in this HDF5-data file." + atom_data = None try: - ionization_data = store["ionization_energies"] + ionization_data = store["ionization_data"] except KeyError: print "Ionization data is not available in this HDF5-data file." ionization_data = None try: - levels_data = store["levels"] + levels = store["levels"] except KeyError: print "Levels data is not available in this HDF5-data file." - levels_data = None + levels = None try: - lines_data = store["lines"] + lines = store["lines"] except KeyError: print "Lines data is not available in this HDF5-data file" lines_data = None try: - macro_atom_data = store["macro_atom"] + macro_atom_data = store["macro_atom_data"] except KeyError: print "Macro atom data is not available in this HDF5-data file." macro_atom_data = None try: - macro_atom_ref = store["macro_atom_references"] + macro_atom_references = store["macro_atom_references"] except KeyError: print "Macro atom reference data is not available in this HDF5-data file." - macro_atom_ref = None + macro_atom_references = None try: zeta_data = store["zeta_data"] @@ -182,11 +182,11 @@ def from_hdf(cls, fname=None): zeta_data = None try: - collision_data = store["collisions"] - collision_temperatures = store.get_storer("collisions").attrs["temperatures"] + collision_data = store["collisions_data"] + collision_data_temperatures = store.get_storer("collisions").attrs["temperatures"] except KeyError: print "Collision data is not available in this HDF5-data file." - collision_data, collision_temperatures = (None, None) + collision_data, collision_data_temperatures = (None, None) try: synpp_refs = store["synpp_refs"] @@ -195,15 +195,23 @@ def from_hdf(cls, fname=None): synpp_refs = None try: - ion_cx_data = store["ion_cx_data"] + ion_cx_th_data = store["ion_cx_th_data"] except KeyError: - print "Ionization cx data is not available in this HDF5-data file." - ion_cx_data = None + print "Ionization cx th data is not available in this HDF5-data file." + ion_cx_th_data = None - atom_data = cls(atom_data=basic_atom_data, ionization_data=ionization_data, levels_data=levels_data, - lines_data=lines_data, macro_atom_data=(macro_atom_data, macro_atom_ref), zeta_data=zeta_data, - collision_data=(collision_data, collision_temperatures), synpp_refs=synpp_refs, - ion_cx_data=ion_cx_data) + try: + ion_cx_sp_data = store["ion_cx_sp_data"] + except KeyError: + print "Ionization cx sp data is not available in this HDF5-data file." + ion_cx_sp_data = None + + atom_data = cls( + atom_data=atom_data, ionization_data=ionization_data, levels=levels, lines=lines, + macro_atom_data=macro_atom_data, macro_atom_references=macro_atom_references, + collision_data=collision_data, collision_data_temperatures=collision_data_temperatures, + synpp_refs=synpp_refs, zeta_data=zeta_data, ion_cx_th_data=ion_cx_th_data, ion_cx_sp_data=ion_cx_sp_data + ) atom_data.uuid1 = store.root._v_attrs['uuid1'] atom_data.md5 = store.root._v_attrs['md5'] @@ -221,46 +229,51 @@ def from_hdf(cls, fname=None): return atom_data - def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_atom_data=None, zeta_data=None, - collision_data=None, synpp_refs=None, ion_cx_data=None): + def __init__(self, atom_data, ionization_data, levels=None, lines=None, + macro_atom_data=None, macro_atom_references=None, zeta_data=None, + collision_data=None, collision_data_temperatures=None, synpp_refs=None, + ion_cx_th_data=None, ion_cx_sp_data=None): self.prepared = False self.atom_data = atom_data self.ionization_data = ionization_data - if levels_data is not None: - self.levels = levels_data + if levels is not None: + self.levels = levels self.has_levels = True else: self.levels = None self.has_levels = False - if lines_data is not None: - self.lines = lines_data + if lines is not None: + self.lines = lines self.has_lines = True else: self.lines = None self.has_lines = False if macro_atom_data is not None: - self.macro_atom_data_all, self.macro_atom_references_all = macro_atom_data + self.macro_atom_data_all, self.macro_atom_references_all = macro_atom_data, macro_atom_references self.has_macro_atom = True else: self.macro_atom_data_all = None self.macro_atom_references_all = None self.has_macro_atom = False - if ion_cx_data is not None: - self.has_ion_cx_data = True - #TODO:Farm a panda here - self.ion_cx_th_data = DataFrame(np.array(ion_cx_data[0])) - self.ion_cx_th_data.set_index(['atomic_number', 'ion_number', 'level_id'], inplace=True) + if ion_cx_th_data is not None: + self.has_ion_cx_th_data = True + self.ion_cx_th_data = ion_cx_th_data + else: + self.has_ion_cx_th_data = False + self.ion_cx_th_data = None - self.ion_cx_sp_data = DataFrame(np.array(ion_cx_data[1])) - self.ion_cx_sp_data.set_index(['atomic_number', 'ion_number', 'level_id']) + if ion_cx_sp_data is not None: + self.has_ion_cx_sp_data = True + self.ion_cx_sp_data = ion_cx_sp_data else: - self.has_ion_cx_data = False + self.has_ion_cx_th_data = False + self.ion_cx_sp_data = None if zeta_data is not None: self.zeta_data = zeta_data @@ -269,8 +282,8 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at self.zeta_data = None self.has_zeta_data = False - if collision_data[0] is not None: - self.collision_data, self.collision_data_temperatures = collision_data + if collision_data is not None: + self.collision_data, self.collision_data_temperatures = collision_data, collision_data_temperatures self.has_collision_data = True else: self.collision_data = None From dd11d042bb829de83bdc15a778357ac879bfb01e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 15:44:21 +0300 Subject: [PATCH 30/92] Ditch the "has_some_data" attributes Check if the DataFrame is not None instead. --- tardis/io/atomic.py | 72 ++++++++------------------------------------- 1 file changed, 12 insertions(+), 60 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 6889e8d7bc2..7eee4f71896 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -238,64 +238,16 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self.atom_data = atom_data self.ionization_data = ionization_data - - if levels is not None: - self.levels = levels - self.has_levels = True - else: - self.levels = None - self.has_levels = False - - if lines is not None: - self.lines = lines - self.has_lines = True - else: - self.lines = None - self.has_lines = False - - if macro_atom_data is not None: - self.macro_atom_data_all, self.macro_atom_references_all = macro_atom_data, macro_atom_references - self.has_macro_atom = True - else: - self.macro_atom_data_all = None - self.macro_atom_references_all = None - self.has_macro_atom = False - - if ion_cx_th_data is not None: - self.has_ion_cx_th_data = True - self.ion_cx_th_data = ion_cx_th_data - else: - self.has_ion_cx_th_data = False - self.ion_cx_th_data = None - - if ion_cx_sp_data is not None: - self.has_ion_cx_sp_data = True - self.ion_cx_sp_data = ion_cx_sp_data - else: - self.has_ion_cx_th_data = False - self.ion_cx_sp_data = None - - if zeta_data is not None: - self.zeta_data = zeta_data - self.has_zeta_data = True - else: - self.zeta_data = None - self.has_zeta_data = False - - if collision_data is not None: - self.collision_data, self.collision_data_temperatures = collision_data, collision_data_temperatures - self.has_collision_data = True - else: - self.collision_data = None - self.collision_data_temperatures = None - self.has_collision_data = False - - if synpp_refs is not None: - self.synpp_refs = synpp_refs - self.has_synpp_refs = True - else: - self.synpp_refs = None - self.has_synpp_refs = False + self.levels = levels + self.lines = lines + self.macro_atom_data = macro_atom_data + self.macro_atom_references = macro_atom_references + self.zeta_data = zeta_data + self.collision_data = collision_data + self.collision_data_temperatures = collision_data_temperatures + self.synpp_refs = self.synpp_refs + self.ion_cx_th_data = ion_cx_th_data + self.ion_cx_sp_data = ion_cx_sp_data self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) @@ -363,7 +315,7 @@ def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scat self.atom_ion_index = None self.levels_index2atom_ion_index = None - if self.has_macro_atom and not (line_interaction_type == 'scatter'): + if self.macro_atom_data is not None and not line_interaction_type == 'scatter': self.macro_atom_data = self.macro_atom_data_all.loc[ self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers) @@ -448,7 +400,7 @@ def __init__(self, atom_data, nlte_species): logger.info('Preparing the NLTE data') self._init_indices() self._create_nlte_mask() - if atom_data.has_collision_data: + if atom_data.collision_data is not None: self._create_collision_coefficient_matrix() else: self._create_nlte_mask() From a1892c2552c84edab5d5152995abd529643d71c4 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 15:47:43 +0300 Subject: [PATCH 31/92] Get collision temps in another try..except block --- tardis/io/atomic.py | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 7eee4f71896..9debbb0b493 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -183,10 +183,15 @@ def from_hdf(cls, fname=None): try: collision_data = store["collisions_data"] - collision_data_temperatures = store.get_storer("collisions").attrs["temperatures"] except KeyError: print "Collision data is not available in this HDF5-data file." - collision_data, collision_data_temperatures = (None, None) + collision_data = None + + try: + collision_data_temperatures = store.get_storer("collisions").attrs["temperatures"] + except KeyError: + print "Collision data temperatures is not available in this HDF5-data file." + collision_data_temperatures = None try: synpp_refs = store["synpp_refs"] From 967808694664fc16147ca7620f0f038b9d004f88 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 15:48:07 +0300 Subject: [PATCH 32/92] Fix a typo --- tardis/io/atomic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 9debbb0b493..759b6b4d62a 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -161,7 +161,7 @@ def from_hdf(cls, fname=None): lines = store["lines"] except KeyError: print "Lines data is not available in this HDF5-data file" - lines_data = None + lines = None try: macro_atom_data = store["macro_atom_data"] From 45885867541a80ee6dff60c2a9e4fcfa40afec31 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 15:49:15 +0300 Subject: [PATCH 33/92] Remove a comment --- tardis/io/atomic.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 759b6b4d62a..ec03e81b8f0 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -227,8 +227,6 @@ def from_hdf(cls, fname=None): atom_data.version = None # ToDo: strore data sources as attributes in carsus - # if atom_data.version is not None: - # atom_data.data_sources = pickle.loads(h5_file.attrs['data_sources']) logger.info('Read Atom Data with UUID=%s and MD5=%s', atom_data.uuid1, atom_data.md5) From c3ebde6e38b9fbca212b9e00250b5f61e4440168 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 15:52:13 +0300 Subject: [PATCH 34/92] Fix a typo --- tardis/io/atomic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index ec03e81b8f0..b9fd8d795c1 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -248,7 +248,7 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self.zeta_data = zeta_data self.collision_data = collision_data self.collision_data_temperatures = collision_data_temperatures - self.synpp_refs = self.synpp_refs + self.synpp_refs = synpp_refs self.ion_cx_th_data = ion_cx_th_data self.ion_cx_sp_data = ion_cx_sp_data From c2c6f86363df3461716d00a968e20907cbcfc1e9 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 16:09:20 +0300 Subject: [PATCH 35/92] Rename macro_atom attributes in init --- tardis/io/atomic.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index b9fd8d795c1..1def3ba4a47 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -243,8 +243,11 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self.ionization_data = ionization_data self.levels = levels self.lines = lines - self.macro_atom_data = macro_atom_data - self.macro_atom_references = macro_atom_references + + # Rename these (drop "_all") when `prepare_atom_data` is removed! + self.macro_atom_data_all = macro_atom_data + self.macro_atom_references_all = macro_atom_references + self.zeta_data = zeta_data self.collision_data = collision_data self.collision_data_temperatures = collision_data_temperatures From 2b3a3afb1590344c99883997f5da378f0a340e9e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 16:13:56 +0300 Subject: [PATCH 36/92] Update AtomData docstring --- tardis/io/atomic.py | 31 +++++++++++++++++++------------ 1 file changed, 19 insertions(+), 12 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 1def3ba4a47..3496822d143 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -59,56 +59,63 @@ class AtomData(object): It is important to note here is that `ion_number` describes the *final ion state* e.g. H I - H II is described with ion=1 - levels_data: pandas.DataFrame + levels: pandas.DataFrame A DataFrame containing the *levels data* with: index: no index; columns: atomic_number, ion_number, level_number, energy[CGS], g[1], metastable. - lines_data: pandas.DataFrame + lines: pandas.DataFrame A DataFrame containing the *lines data* with: index: no index; columns: line_id, atomic_number, ion_number, level_number_lower, level_number_upper, wavelength[angstrom], wavelength_cm[CGS], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. - macro_atom_data: (pandas.DataFrame, pandas.DataFrame) - A tuple containing a DataFrame with the *macro atom data* with: + macro_atom_data: + A DataFrame containing the *macro atom data* with: index: no_index; columns: atomic_number, ion_number, source_level_number, destination_level_number, transition_line_id, transition_type, transition_probability; - and a DataFrame with the *macro atom references* with: + + macro_atom_references: + A DataFrame containing the *macro atom references* with: index: no_index; columns: atomic_number, ion_number, source_level_number, count_down, count_up, count_total. Refer to the docs: http://tardis.readthedocs.io/en/latest/physics/plasma/macroatom.html collision_data: (pandas.DataFrame, np.array) - A tuple containing a DataFrame with the *electron collisions data* with: + A DataFrame containing the *electron collisions data* with: index: atomic_number, ion_number, level_number_lower, level_number_upper; columns: e_col_id, delta_e, g_ratio, c_ul; - and an array with the collision temperatures. + + collision_data_temperatures: np.array + An array with the collision temperatures. zeta_data: ? synpp_refs: ? - ion_cx_data: ? + ion_cx_tx_data: ? + ion_cx_sp_data: ? Attributes ------------- prepared: bool - has_levels: bool - has_lines: bool - has_macro_atom: bool + atom_data: pandas.DataFrame ionization_data: pandas.DataFrame macro_atom_data_all: pandas.DataFrame macro_atom_references_all: pandas.DataFrame collision_data: pandas.DataFrame collision_data_temperatures: numpy.array + zeta_data: pandas.DataFrame + synpp_refs: pandas.DataFrame + ion_cx_tx_data: pandas.DataFrame + ion_cx_sp_data: pandas.DataFrame symbol2atomic_number: OrderedDict atomic_number2symbol OrderedDict Methods -------- - from_hdfstore + from_hdf prepare_atom_data Notes From 494260bafabe679ce83ad99aa9523ee236d5343b Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 16:15:39 +0300 Subject: [PATCH 37/92] Clear imports --- tardis/io/atomic.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 3496822d143..91951d5cf41 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -5,12 +5,9 @@ import tardis import numpy as np import pandas as pd -import cPickle as pickle from scipy import interpolate -from astropy import units, constants from collections import OrderedDict -from pandas import DataFrame class AtomDataNotPreparedError(Exception): From e3535c0fccacd5709933b2f8c225d678b3c5f22f Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 16:18:43 +0300 Subject: [PATCH 38/92] Fix a typo in name --- tardis/io/atomic.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 91951d5cf41..a5e1ad8a467 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -192,7 +192,7 @@ def from_hdf(cls, fname=None): collision_data = None try: - collision_data_temperatures = store.get_storer("collisions").attrs["temperatures"] + collision_data_temperatures = store.get_storer("collisions_data").attrs["temperatures"] except KeyError: print "Collision data temperatures is not available in this HDF5-data file." collision_data_temperatures = None From f2fb61d583d5d09ca2a234dfeca1f9cdbbcb36d0 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 16:28:11 +0300 Subject: [PATCH 39/92] Replace has_some_data with is not None --- tardis/plasma/properties/partition_function.py | 2 +- tardis/util.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/tardis/plasma/properties/partition_function.py b/tardis/plasma/properties/partition_function.py index 705a1f901a4..b7330bc828e 100644 --- a/tardis/plasma/properties/partition_function.py +++ b/tardis/plasma/properties/partition_function.py @@ -162,7 +162,7 @@ def _main_nlte_calculation( (number_of_levels**2, len(t_electrons))) r_lu_matrix_reshaped[r_lu_index] = B_lus[np.newaxis].T * \ j_blues_filtered * beta_sobolevs_filtered - if atomic_data.has_collision_data: + if atomic_data.collision_data is not None: if previous_electron_densities is None: collision_matrix = r_ul_matrix.copy() collision_matrix.fill(0.0) diff --git a/tardis/util.py b/tardis/util.py index 751beb15785..f6d6d4e10ee 100644 --- a/tardis/util.py +++ b/tardis/util.py @@ -177,7 +177,7 @@ def calculate_luminosity(spec_fname, distance, wavelength_column=0, wavelength_u def create_synpp_yaml(radial1d_mdl, fname, shell_no=0, lines_db=None): logger.warning('Currently only works with Si and a special setup') - if not radial1d_mdl.atom_data.has_synpp_refs: + if radial1d_mdl.atom_data.synpp_refs is not None: raise ValueError( 'The current atom dataset does not contain the necesarry reference files (please contact the authors)') From 2984eb087db91ecc6b879ebbb345872922199e50 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 28 Jul 2016 19:37:29 +0300 Subject: [PATCH 40/92] Use a dict to instantiate AtomData --- tardis/io/atomic.py | 92 +++++++-------------------------------------- 1 file changed, 13 insertions(+), 79 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index a5e1ad8a467..2663e8b66c3 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -121,6 +121,10 @@ class AtomData(object): """ + hdf_names = ["atom_data", "ionization_data", "levels", "lines", + "macro_atom_data", "macro_atom_references", "zeta_data", "collisions_data", + "collisions_data_temperatures", "synpp_refs", "ion_cx_th_data", "ion_cx_sp_data"] + @classmethod def from_hdf(cls, fname=None): """ @@ -141,86 +145,16 @@ def from_hdf(cls, fname=None): if not os.path.exists(fname): raise ValueError("Supplied Atomic Model Database %s does not exists" % fname) - with pd.HDFStore(fname) as store: - - try: - atom_data = store["atom_data"] - except KeyError: - print "Atom data is not available in this HDF5-data file." - atom_data = None - - try: - ionization_data = store["ionization_data"] - except KeyError: - print "Ionization data is not available in this HDF5-data file." - ionization_data = None - - try: - levels = store["levels"] - except KeyError: - print "Levels data is not available in this HDF5-data file." - levels = None - - try: - lines = store["lines"] - except KeyError: - print "Lines data is not available in this HDF5-data file" - lines = None - - try: - macro_atom_data = store["macro_atom_data"] - except KeyError: - print "Macro atom data is not available in this HDF5-data file." - macro_atom_data = None - - try: - macro_atom_references = store["macro_atom_references"] - except KeyError: - print "Macro atom reference data is not available in this HDF5-data file." - macro_atom_references = None - - try: - zeta_data = store["zeta_data"] - except KeyError: - print "Zeta data is not available in this HDF5-data file." - zeta_data = None - - try: - collision_data = store["collisions_data"] - except KeyError: - print "Collision data is not available in this HDF5-data file." - collision_data = None - - try: - collision_data_temperatures = store.get_storer("collisions_data").attrs["temperatures"] - except KeyError: - print "Collision data temperatures is not available in this HDF5-data file." - collision_data_temperatures = None + dataframes = dict() - try: - synpp_refs = store["synpp_refs"] - except KeyError: - print "Synpp refs is not available in this HDF5-data file." - synpp_refs = None - - try: - ion_cx_th_data = store["ion_cx_th_data"] - except KeyError: - print "Ionization cx th data is not available in this HDF5-data file." - ion_cx_th_data = None + with pd.HDFStore(fname) as store: + for name in cls.hdf_names: + try: + dataframes[name] = store[name] + except KeyError: + print "{} not available in this HDF5-data file".format(name) - try: - ion_cx_sp_data = store["ion_cx_sp_data"] - except KeyError: - print "Ionization cx sp data is not available in this HDF5-data file." - ion_cx_sp_data = None - - atom_data = cls( - atom_data=atom_data, ionization_data=ionization_data, levels=levels, lines=lines, - macro_atom_data=macro_atom_data, macro_atom_references=macro_atom_references, - collision_data=collision_data, collision_data_temperatures=collision_data_temperatures, - synpp_refs=synpp_refs, zeta_data=zeta_data, ion_cx_th_data=ion_cx_th_data, ion_cx_sp_data=ion_cx_sp_data - ) + atom_data = cls(**dataframes) atom_data.uuid1 = store.root._v_attrs['uuid1'] atom_data.md5 = store.root._v_attrs['md5'] @@ -325,7 +259,7 @@ def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scat self.atom_ion_index = None self.levels_index2atom_ion_index = None - if self.macro_atom_data is not None and not line_interaction_type == 'scatter': + if self.macro_atom_data_all is not None and not line_interaction_type == 'scatter': self.macro_atom_data = self.macro_atom_data_all.loc[ self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers) From 987704a750af217342492896d118c196fa58809e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 29 Jul 2016 15:03:23 +0300 Subject: [PATCH 41/92] Use logger instead of print stmts --- tardis/io/atomic.py | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 2663e8b66c3..36ddac655b9 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -146,13 +146,14 @@ def from_hdf(cls, fname=None): raise ValueError("Supplied Atomic Model Database %s does not exists" % fname) dataframes = dict() + nonavailable = list() with pd.HDFStore(fname) as store: for name in cls.hdf_names: try: dataframes[name] = store[name] except KeyError: - print "{} not available in this HDF5-data file".format(name) + nonavailable.append(name) atom_data = cls(**dataframes) @@ -166,7 +167,11 @@ def from_hdf(cls, fname=None): # ToDo: strore data sources as attributes in carsus - logger.info('Read Atom Data with UUID=%s and MD5=%s', atom_data.uuid1, atom_data.md5) + logger.info( + "Read Atom Data with UUID={0} and MD5={1}. " + "Not found: {2}".format(atom_data.uuid1, atom_data.md5, ", ".join(nonavailable)) + ) + return atom_data From b48d485c3668925b4844ec11949f4273177ec86f Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 29 Jul 2016 15:04:35 +0300 Subject: [PATCH 42/92] Correct a typo in hdf names --- tardis/io/atomic.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 36ddac655b9..c5e350d6ee1 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -122,8 +122,8 @@ class AtomData(object): """ hdf_names = ["atom_data", "ionization_data", "levels", "lines", - "macro_atom_data", "macro_atom_references", "zeta_data", "collisions_data", - "collisions_data_temperatures", "synpp_refs", "ion_cx_th_data", "ion_cx_sp_data"] + "macro_atom_data", "macro_atom_references", "zeta_data", "collision_data", + "collision_data_temperatures", "synpp_refs", "ion_cx_th_data", "ion_cx_sp_data"] @classmethod def from_hdf(cls, fname=None): From 10013f5119f797832ae1d03acef561f4107d3c87 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 29 Jul 2016 15:09:13 +0300 Subject: [PATCH 43/92] Use try..except to read md5 and uuid1 --- tardis/io/atomic.py | 11 +++++++++-- 1 file changed, 9 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index c5e350d6ee1..3555829d7fe 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -157,8 +157,15 @@ def from_hdf(cls, fname=None): atom_data = cls(**dataframes) - atom_data.uuid1 = store.root._v_attrs['uuid1'] - atom_data.md5 = store.root._v_attrs['md5'] + try: + atom_data.uuid1 = store.root._v_attrs['uuid1'] + except KeyError: + atom_data.uuid1 = None + + try: + atom_data.md5 = store.root._v_attrs['md5'] + except KeyError: + atom_data.md5 = None try: atom_data.version = store.root._v_attrs['database_version'] From 5dbd5dfe5be9d949c888686f708e15ca627bf16f Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Fri, 29 Jul 2016 17:55:00 +0300 Subject: [PATCH 44/92] Check either all or none of the related dfs are given --- tardis/io/atomic.py | 26 +++++++++++++++++++++++++- 1 file changed, 25 insertions(+), 1 deletion(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 3555829d7fe..9b7383dc1c0 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -13,6 +13,9 @@ class AtomDataNotPreparedError(Exception): pass +class AtomDataMissingError(Exception): + pass + logger = logging.getLogger(__name__) @@ -125,6 +128,11 @@ class AtomData(object): "macro_atom_data", "macro_atom_references", "zeta_data", "collision_data", "collision_data_temperatures", "synpp_refs", "ion_cx_th_data", "ion_cx_sp_data"] + # List of tuples of the related dataframes. + # Either all or none of the related dataframes must be given + related_groups = [("macro_atom_data_all", "macro_atom_references_all"), + ("collision_data", "collision_data_temperatures")] + @classmethod def from_hdf(cls, fname=None): """ @@ -179,7 +187,6 @@ def from_hdf(cls, fname=None): "Not found: {2}".format(atom_data.uuid1, atom_data.md5, ", ".join(nonavailable)) ) - return atom_data def __init__(self, atom_data, ionization_data, levels=None, lines=None, @@ -199,15 +206,32 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self.macro_atom_references_all = macro_atom_references self.zeta_data = zeta_data + self.collision_data = collision_data self.collision_data_temperatures = collision_data_temperatures + self.synpp_refs = synpp_refs self.ion_cx_th_data = ion_cx_th_data self.ion_cx_sp_data = ion_cx_sp_data + self._check_related() + self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) + + def _check_related(self): + """ Check that either all or none of the related dataframes are given.""" + for group in self.related_groups: + check_list = [name for name in group if getattr(self, name) is None] + + if len(check_list) != 0 and len(check_list) != len(group): + raise AtomDataMissingError( + "The following dataframes from the related group [{0}] " + "were not given: {1}".format(", ".join(group), ", ".join(check_list)) + ) + + def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scatter', max_ion_number=None, nlte_species=[]): """ From 30d5d0392686bf7bab052c7a1b87412c6c9ce55c Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 2 Aug 2016 18:10:56 +0300 Subject: [PATCH 45/92] Convert values to CGS in init --- tardis/io/atomic.py | 30 ++++++++++++++++++++++++++---- 1 file changed, 26 insertions(+), 4 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 9b7383dc1c0..5d4d5e7ca7c 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -8,6 +8,9 @@ from scipy import interpolate from collections import OrderedDict +from astropy import units as u +from astropy import constants as const +from astropy.units import Quantity class AtomDataNotPreparedError(Exception): @@ -49,12 +52,12 @@ class AtomData(object): atom_data: pandas.DataFrame A DataFrame containing the *basic atomic data* with: index: atomic_number; - columns: symbol, name, mass[CGS]. + columns: symbol, name, mass[u]. ionization_data: pandas.DataFrame A DataFrame containing the *ionization data* with: index: atomic_number, ion_number; - columns: ionization_energy[CGS]. + columns: ionization_energy[eV]. It is important to note here is that `ion_number` describes the *final ion state* e.g. H I - H II is described with ion=1 @@ -62,13 +65,13 @@ class AtomData(object): levels: pandas.DataFrame A DataFrame containing the *levels data* with: index: no index; - columns: atomic_number, ion_number, level_number, energy[CGS], g[1], metastable. + columns: atomic_number, ion_number, level_number, energy[eV], g[1], metastable. lines: pandas.DataFrame A DataFrame containing the *lines data* with: index: no index; columns: line_id, atomic_number, ion_number, level_number_lower, level_number_upper, - wavelength[angstrom], wavelength_cm[CGS], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. + wavelength[angstrom], nu[Hz], f_lu[1], f_ul[1], B_ul[?], B_ul[?], A_ul[1/s]. macro_atom_data: A DataFrame containing the *macro atom data* with: @@ -196,6 +199,25 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self.prepared = False + # CONVERT VALUES TO CGS UNITS + + # Convert atomic masses to CGS + # We have to use constants.u because astropy uses different values for the unit u and the constant. + # This is changed in later versions of astropy (the value of constants.u is used in all cases) + if u.u.cgs == const.u.cgs: + atom_data["mass"] = Quantity(atom_data["mass"].values, "u").cgs + else: + atom_data["mass"] = atom_data["mass"].values * const.u.cgs + + # Convert ionization energies to CGS + ionization_data["ionization_energy"] = Quantity(ionization_data["ionization_energy"].values, "eV").cgs + + # Convert energy to CGS + levels["energy"] = Quantity(levels["energy"].values, 'eV').cgs + + # Create a new columns with wavelengths in the CGS units + lines['wavelength_cm'] = Quantity(lines['wavelength'], 'angstrom').cgs + self.atom_data = atom_data self.ionization_data = ionization_data self.levels = levels From c2fb39b6e2afc9c4837edcb22c9c3e3c2aa26141 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 2 Aug 2016 18:12:06 +0300 Subject: [PATCH 46/92] Add a comment --- tardis/io/atomic.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 5d4d5e7ca7c..1d48fac74c8 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -218,6 +218,8 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, # Create a new columns with wavelengths in the CGS units lines['wavelength_cm'] = Quantity(lines['wavelength'], 'angstrom').cgs + # SET ATTRIBUTES + self.atom_data = atom_data self.ionization_data = ionization_data self.levels = levels From 0cd298fc1fbde8651fae4742b72f51e9d05d9359 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 4 Aug 2016 16:32:13 +0300 Subject: [PATCH 47/92] Use loc to create and set columns --- tardis/io/atomic.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 1d48fac74c8..d2e2fca3829 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -205,18 +205,18 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, # We have to use constants.u because astropy uses different values for the unit u and the constant. # This is changed in later versions of astropy (the value of constants.u is used in all cases) if u.u.cgs == const.u.cgs: - atom_data["mass"] = Quantity(atom_data["mass"].values, "u").cgs + atom_data.loc[:, "mass"] = Quantity(atom_data["mass"].values, "u").cgs else: - atom_data["mass"] = atom_data["mass"].values * const.u.cgs + atom_data.loc[:, "mass"] = atom_data["mass"].values * const.u.cgs # Convert ionization energies to CGS - ionization_data["ionization_energy"] = Quantity(ionization_data["ionization_energy"].values, "eV").cgs + ionization_data.loc[:, "ionization_energy"] = Quantity(ionization_data["ionization_energy"].values, "eV").cgs # Convert energy to CGS - levels["energy"] = Quantity(levels["energy"].values, 'eV').cgs + levels.loc[:, "energy"] = Quantity(levels["energy"].values, 'eV').cgs # Create a new columns with wavelengths in the CGS units - lines['wavelength_cm'] = Quantity(lines['wavelength'], 'angstrom').cgs + lines.loc[:, 'wavelength_cm'] = Quantity(lines['wavelength'], 'angstrom').cgs # SET ATTRIBUTES From ff56083a8b5a9f3791ce74e6d1c27bc649867e0b Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Mon, 15 Aug 2016 15:33:59 +0300 Subject: [PATCH 48/92] Remove extra blank lines --- tardis/io/atomic.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index d2e2fca3829..1c31699e40a 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -243,7 +243,6 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) - def _check_related(self): """ Check that either all or none of the related dataframes are given.""" for group in self.related_groups: @@ -255,7 +254,6 @@ def _check_related(self): "were not given: {1}".format(", ".join(group), ", ".join(check_list)) ) - def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scatter', max_ion_number=None, nlte_species=[]): """ From a73be2fb4ac2682494fadb555115b258c6fcf840 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 14:02:15 +0300 Subject: [PATCH 49/92] Move helper functions from atomic to util Move `atomic_number2symbol` and `symbol2atomic_number` from the `atomic` module to the `util` module. These functions are helpers (also used in util and other modules) so they really belong to the util module. Also, move `data_path` and `tests_data_path` to the `util` module and rename them as `get_data_path` and `get_tests_data_path`. The rationale for the renaming is that pytest confuses the `tests_data_path` with a unit test. --- tardis/io/atomic.py | 22 +--------------------- tardis/util.py | 34 ++++++++++++++++++++++++++-------- 2 files changed, 27 insertions(+), 29 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 1c31699e40a..563d99df103 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -2,7 +2,6 @@ import os import logging -import tardis import numpy as np import pandas as pd @@ -16,32 +15,13 @@ class AtomDataNotPreparedError(Exception): pass + class AtomDataMissingError(Exception): pass logger = logging.getLogger(__name__) -tardis_dir = os.path.dirname(os.path.realpath(tardis.__file__)) - - -def data_path(fname): - return os.path.join(tardis_dir, 'data', fname) - - -def tests_data_path(fname): - return os.path.join(tardis_dir, 'tests', 'data', fname) - - -default_atom_h5_path = data_path('atom_data.h5') - -atomic_symbols_data = np.recfromtxt(data_path('atomic_symbols.dat'), - names=['atomic_number', 'symbol']) - -symbol2atomic_number = OrderedDict(zip(atomic_symbols_data['symbol'], - atomic_symbols_data['atomic_number'])) -atomic_number2symbol = OrderedDict(atomic_symbols_data) - class AtomData(object): """ diff --git a/tardis/util.py b/tardis/util.py index f6d6d4e10ee..f3802cded96 100644 --- a/tardis/util.py +++ b/tardis/util.py @@ -6,9 +6,10 @@ import os import yaml import re - +import tardis import logging -from tardis.io import atomic + +from collections import OrderedDict k_B_cgs = constants.k_B.cgs.value @@ -47,10 +48,27 @@ def __str__(self): return 'Expecting a quantity string(e.g. "5 km/s") for keyword - supplied %s' % self.malformed_quantity_string - logger = logging.getLogger(__name__) -synpp_default_yaml_fname = os.path.join(os.path.dirname(__file__), 'data', 'synpp_default.yaml') +tardis_dir = os.path.dirname(os.path.realpath(tardis.__path__[0])) + + +def get_data_path(fname): + return os.path.join(tardis_dir, 'data', fname) + + +def get_tests_data_path(fname): + return os.path.join(tardis_dir, 'tests', 'data', fname) + + +atomic_symbols_data = np.recfromtxt(get_data_path('atomic_symbols.dat'), + names=['atomic_number', 'symbol']) +symbol2atomic_number = OrderedDict(zip(atomic_symbols_data['symbol'], + atomic_symbols_data['atomic_number'])) +atomic_number2symbol = OrderedDict(atomic_symbols_data) + + +synpp_default_yaml_fname = get_data_path('synpp_default.yaml') def int_to_roman(int_input): @@ -321,7 +339,7 @@ def savitzky_golay(y, window_size, order, deriv=0, rate=1): def species_tuple_to_string(species_tuple, roman_numerals=True): atomic_number, ion_number = species_tuple - element_symbol = atomic.atomic_number2symbol[atomic_number] + element_symbol = atomic_number2symbol[atomic_number] if roman_numerals: roman_ion_number = int_to_roman(ion_number+1) return '%s %s' % (element_symbol, roman_ion_number) @@ -381,15 +399,15 @@ def parse_quantity(quantity_string): def element_symbol2atomic_number(element_string): reformatted_element_string = reformat_element_symbol(element_string) - if reformatted_element_string not in atomic.symbol2atomic_number: + if reformatted_element_string not in symbol2atomic_number: raise MalformedElementSymbolError(element_string) - return atomic.symbol2atomic_number[reformatted_element_string] + return symbol2atomic_number[reformatted_element_string] def atomic_number2element_symbol(atomic_number): """ Convert atomic number to string symbol """ - return atomic.atomic_number2symbol[atomic_number] + return atomic_number2symbol[atomic_number] def reformat_element_symbol(element_string): """ From aa5fe25354efbb341b2102acfa935ae7cd6a8055 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 14:14:18 +0300 Subject: [PATCH 50/92] Make fname a positional argument Do not provide a default path for the HDFStore. Defaul atom data won't be shipped with Tardis (and the one that is present is outdated). --- tardis/io/atomic.py | 8 ++------ 1 file changed, 2 insertions(+), 6 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 563d99df103..4d8b779ba2e 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -117,7 +117,7 @@ class AtomData(object): ("collision_data", "collision_data_temperatures")] @classmethod - def from_hdf(cls, fname=None): + def from_hdf(cls, fname): """ Function to read all the atom data from the special Carsus HDFStore file. @@ -125,14 +125,10 @@ def from_hdf(cls, fname=None): ---------- fname: str, optional - The path to the HDFStore file. If set to `None` the default file with limited atomic_data - shipped with TARDIS will be used. For more complex atomic data please contact the authors. + Path to the HDFStore file. Please contact the authors to get the up-to-date file. (default: None) """ - if fname is None: - fname = default_atom_h5_path - if not os.path.exists(fname): raise ValueError("Supplied Atomic Model Database %s does not exists" % fname) From 18116ca1b5344b6b8017423276fec4a008435549 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 16:57:56 +0300 Subject: [PATCH 51/92] Remove girname --- tardis/util.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/util.py b/tardis/util.py index f3802cded96..402a95fd4ba 100644 --- a/tardis/util.py +++ b/tardis/util.py @@ -50,7 +50,7 @@ def __str__(self): logger = logging.getLogger(__name__) -tardis_dir = os.path.dirname(os.path.realpath(tardis.__path__[0])) +tardis_dir = os.path.realpath(tardis.__path__[0]) def get_data_path(fname): From dd4d4929e6ff692fd974198702ab6cda41b6b71e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 16:38:53 +0300 Subject: [PATCH 52/92] Remove unused fixtures from conftest --- tardis/conftest.py | 11 ----------- 1 file changed, 11 deletions(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index ed61fb3c804..2e9b4eb7d5e 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -118,17 +118,6 @@ def kurucz_atomic_data(atomic_dataset): atomic_data = deepcopy(atomic_dataset) return atomic_data -@pytest.fixture -def test_data_path(): - return os.path.join(tardis.__path__[0], 'tests', 'data') - - -@pytest.fixture -def included_he_atomic_data(test_data_path): - atomic_db_fname = os.path.join(test_data_path, 'chianti_he_db.h5') - return AtomData.from_hdf5(atomic_db_fname) - - @pytest.fixture def tardis_config_verysimple(): return yaml_load_config_file( From ee9f90339876e39ee90c9b237c46bb99163227ec Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 16:39:38 +0300 Subject: [PATCH 53/92] Clean imports in conftest --- tardis/conftest.py | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 2e9b4eb7d5e..4833e21aec5 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -7,10 +7,9 @@ pytest_addoption as _pytest_add_option ) -import tardis import pytest + from tardis.io.atomic import AtomData -from tardis.io.config_reader import Configuration from tardis.io.util import yaml_load_config_file from tardis.simulation import Simulation from copy import deepcopy From ca08ffdf3654f6ebba21e268480e6224c028530e Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 16:55:24 +0300 Subject: [PATCH 54/92] Use --atomic-dataset instead of chianti_he_db --- tardis/tests/test_plasma_simple.py | 14 +++++++++----- 1 file changed, 9 insertions(+), 5 deletions(-) diff --git a/tardis/tests/test_plasma_simple.py b/tardis/tests/test_plasma_simple.py index 91660acb2f4..a2fd772d34d 100644 --- a/tardis/tests/test_plasma_simple.py +++ b/tardis/tests/test_plasma_simple.py @@ -2,13 +2,10 @@ import os import pandas as pd import tardis -from tardis.io import atomic +from tardis.io.atomic import AtomData import warnings import pytest from tardis.io.util import parse_abundance_dict_to_dataframe -# from numpy.testing import assert_allclose -data_path = os.path.join(tardis.__path__[0], 'tests', 'data') -helium_test_db = os.path.join(data_path, 'chianti_he_db.h5') # FIXME @@ -18,8 +15,15 @@ "longer exist.") class TestNebularPlasma(object): + @classmethod + @pytest.fixture(scope="class", autouse=True) def setup(self): - atom_data = atomic.AtomData.from_hdf5(helium_test_db) + atom_data_filename = os.path.expanduser(os.path.expandvars( + pytest.config.getvalue('atomic-dataset'))) + assert os.path.exists(atom_data_filename), \ + "{0} atomic datafiles does not seem to exist".format(atom_data_filename) + + atom_data = AtomData.from_hdf(atom_data_filename) density = 1e-15 * u.Unit('g/cm3') abundance = parse_abundance_dict_to_dataframe({'He': 1.0}) abundance = pd.DataFrame({0: abundance}) From f3d89d562021a98d223c27ff4c2e756d2b4179c5 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 17:30:52 +0300 Subject: [PATCH 55/92] Change method name to from_hdf --- tardis/conftest.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 4833e21aec5..1e8eab9c004 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -105,7 +105,7 @@ def atomic_data_fname(tardis_ref_path): @pytest.fixture(scope="session") def atomic_dataset(atomic_data_fname): - atomic_data = AtomData.from_hdf5(atomic_data_fname) + atomic_data = AtomData.from_hdf(atomic_data_fname) if atomic_data.md5 != '21095dd25faa1683f4c90c911a00c3f8': pytest.skip('Need default Kurucz atomic dataset ' '(md5="06709f04d369f07c58e01a7d0f34bd10"') From fb8fb19c3b77727b4aa891bcf5823bcd11be514d Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 17:39:27 +0300 Subject: [PATCH 56/92] Reimplement tests for atomic --- tardis/io/tests/test_atomic.py | 173 +++++++++------------------------ 1 file changed, 45 insertions(+), 128 deletions(-) diff --git a/tardis/io/tests/test_atomic.py b/tardis/io/tests/test_atomic.py index 97d38fd4fd2..bc80b5f431a 100644 --- a/tardis/io/tests/test_atomic.py +++ b/tardis/io/tests/test_atomic.py @@ -1,148 +1,65 @@ -import os import pytest -from numpy import testing -from tardis.io import atomic +from astropy.tests.helper import assert_quantity_allclose +from astropy import units as u +from astropy import constants as const -@pytest.fixture(scope="module") -def default_atom_h5_path(): - return atomic.data_path('atom_data.h5') +@pytest.fixture +def basic_atom_data(kurucz_atomic_data): + return kurucz_atomic_data.atom_data -@pytest.fixture(scope="module") -def chianti_he_db_h5_path(): - return atomic.tests_data_path('chianti_he_db.h5') +@pytest.fixture +def ionization_data(kurucz_atomic_data): + return kurucz_atomic_data.ionization_data -def test_data_path(): - data_path = atomic.data_path('test') - assert data_path.split('/')[-3:] == ['tardis', 'data', 'test'] +@pytest.fixture +def levels(kurucz_atomic_data): + return kurucz_atomic_data.levels -def test_read_basic_atom_data(default_atom_h5_path): - data = atomic.read_basic_atom_data(default_atom_h5_path) - assert data['atomic_number'][13] == 14 - assert data['symbol'][13] == "Si" - testing.assert_almost_equal(data['mass'][13], 28.085, decimal=4) +@pytest.fixture +def lines(kurucz_atomic_data): + return kurucz_atomic_data.lines -def test_read_ionization_data(default_atom_h5_path): - data = atomic.read_ionization_data(default_atom_h5_path) - assert data['atomic_number'][0] == 1 - assert data['ion_number'][0] == 1 - testing.assert_almost_equal(data['ionization_energy'][0], 13.59844, decimal=4) +def test_atom_data_basic_atom_data(basic_atom_data): + assert basic_atom_data.loc[2, 'symbol'] == 'He' + assert_quantity_allclose( + basic_atom_data.at[2, 'mass'] * u.Unit('g'), + 4.002602 * const.u.cgs + ) -def test_read_levels_data(default_atom_h5_path): - data = atomic.read_levels_data(default_atom_h5_path) - assert data['atomic_number'][4] == 14 - assert data['ion_number'][4] == 0 - assert data['level_number'][4] == 4 - testing.assert_almost_equal(data['energy'][4], 1.90865, decimal=4) - assert data['g'][4] == 1 - assert data['metastable'][4] == False +def test_atom_data_ionization_data(ionization_data): + assert_quantity_allclose( + ionization_data.at[(2, 1), 'ionization_energy'] * u.Unit('erg'), + 24.587387936 * u.Unit('eV') + ) -def test_read_lines_data(default_atom_h5_path): - data = atomic.read_lines_data(default_atom_h5_path) - assert data['line_id'][0] == 8 - assert data['atomic_number'][0] == 14 - assert data['ion_number'][0] == 5 - testing.assert_almost_equal(data['wavelength'][0], 66.772, decimal=4) - testing.assert_almost_equal(data['f_ul'][0], 0.02703, decimal=4) - testing.assert_almost_equal(data['f_lu'][0], 0.04054, decimal=4) - assert data['level_number_lower'][0] == 0.0 - assert data['level_number_upper'][0] == 36.0 +def test_atom_data_levels(levels): + levels = levels.set_index(['atomic_number', 'ion_number', 'level_number']) + assert_quantity_allclose( + u.Quantity(levels.at[(2, 0, 2), 'energy'], u.Unit('erg')).to(u.Unit('cm-1'), equivalencies=u.spectral()), + 166277.542 * u.Unit('cm-1') + ) -def test_read_synpp_refs(chianti_he_db_h5_path): - data = atomic.read_synpp_refs(chianti_he_db_h5_path) - assert data['atomic_number'][0] == 1 - assert data['ion_number'][0] == 0 - testing.assert_almost_equal(data['wavelength'][0], 6562.7973633, decimal=4) - assert data['line_id'][0] == 564995 +def test_atom_data_lines(lines): + lines = lines.set_index(['atomic_number', 'ion_number', + 'level_number_lower', 'level_number_upper']) + assert_quantity_allclose( + lines.at[(2, 0, 0, 6), 'wavelength_cm'] * u.Unit('cm'), + 584.335 * u.Unit('Angstrom') + ) -def test_read_zeta_data(default_atom_h5_path, chianti_he_db_h5_path): - data = atomic.read_zeta_data(chianti_he_db_h5_path) - testing.assert_almost_equal(data[2000][1][1], 0.339, decimal=4) - testing.assert_almost_equal(data[2000][1][2], 0.000, decimal=4) - - with pytest.raises(ValueError): - atomic.read_zeta_data(None) - - with pytest.raises(IOError): - atomic.read_zeta_data('fakepath') - - with pytest.raises(ValueError): - atomic.read_zeta_data(default_atom_h5_path) - - -def test_read_collision_data(default_atom_h5_path, chianti_he_db_h5_path): - data = atomic.read_collision_data(chianti_he_db_h5_path) - assert data[0]['atomic_number'][0] == 2 - assert data[0]['ion_number'][0] == 0 - assert data[0]['level_number_upper'][0] == 18 - assert data[0]['level_number_lower'][0] == 2 - assert data[0]['g_ratio'][0] == 1.0 - testing.assert_almost_equal(data[0]['delta_e'][0], 35484.251143, decimal=4) - assert data[1][0] == 2000.0 - assert data[1][1] == 4000.0 - - with pytest.raises(ValueError): - atomic.read_zeta_data(None) - - with pytest.raises(IOError): - atomic.read_zeta_data('fakepath') - - with pytest.raises(ValueError): - atomic.read_zeta_data(default_atom_h5_path) - - -def test_read_macro_atom_data(default_atom_h5_path, chianti_he_db_h5_path): - data = atomic.read_macro_atom_data(chianti_he_db_h5_path) - assert data[0]['atomic_number'][0] == 2 - assert data[0]['ion_number'][0] == 0 - assert data[0]['source_level_number'][0] == 0.0 - assert data[0]['destination_level_number'][0] == 48.0 - assert data[0]['transition_type'][0] == 1 - assert data[0]['transition_probability'][0] == 0.0 - assert data[0]['transition_line_id'][0] == 564957 - - assert data[1]['count_down'][0] == 0 - assert data[1]['count_up'][0] == 7 - assert data[1]['count_total'][0] == 7 - - with pytest.raises(ValueError): - atomic.read_macro_atom_data(None) - - with pytest.raises(IOError): - atomic.read_macro_atom_data('fakepath') - - with pytest.raises(ValueError): - atomic.read_macro_atom_data(default_atom_h5_path) - - -def test_atom_levels(): - atom_data = atomic.AtomData.from_hdf5(atomic.default_atom_h5_path) - with pytest.raises(Exception): - raise Exception('test the atom_data thoroughly') - -def test_atomic_symbol(): - assert atomic.atomic_number2symbol[14] == 'Si' - -def test_atomic_symbol_reverse(): - assert atomic.symbol2atomic_number['Si'] == 14 - - -def test_atomic_reprepare(atomic_data_fname): - atom_data = atomic.AtomData.from_hdf5(atomic_data_fname) - atom_data.prepare_atom_data([14]) - assert len(atom_data.lines) > 0 - # Fix for new behavior of prepare_atom_data - # Consider doing only one prepare_atom_data and check - # len(atom_data.lines) == N where N is known - atom_data = atomic.AtomData.from_hdf5(atomic_data_fname) - atom_data.prepare_atom_data([20]) - assert len(atom_data.lines) > 0 +def test_atomic_reprepare(kurucz_atomic_data): + kurucz_atomic_data.prepare_atom_data([14, 20]) + lines = kurucz_atomic_data.lines + assert lines['atomic_number'].isin([14, 20]).all() + assert len(lines.loc[lines['atomic_number'] == 14]) > 0 + assert len(lines.loc[lines['atomic_number'] == 20]) > 0 From 746a37ad275f20a5a5975c3601109ffc82caf050 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 17:41:29 +0300 Subject: [PATCH 57/92] Use global variable for defauld UUID --- tardis/conftest.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 1e8eab9c004..0525bf09318 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -58,6 +58,8 @@ except NameError: # Needed to support Astropy <= 1.0.0 pass +DEFAULT_UUID = '06709f04d369f07c58e01a7d0f34bd10' + # ------------------------------------------------------------------------- # Initialization # ------------------------------------------------------------------------- @@ -106,9 +108,9 @@ def atomic_data_fname(tardis_ref_path): @pytest.fixture(scope="session") def atomic_dataset(atomic_data_fname): atomic_data = AtomData.from_hdf(atomic_data_fname) - if atomic_data.md5 != '21095dd25faa1683f4c90c911a00c3f8': - pytest.skip('Need default Kurucz atomic dataset ' - '(md5="06709f04d369f07c58e01a7d0f34bd10"') + + if atomic_data.md5 != DEFAULT_UUID: + pytest.skip('Need default Kurucz atomic dataset (md5="{}"'.format(DEFAULT_UUID)) else: return atomic_data From e999d6fff6f38c33b96ad8f8f719588519f3915a Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Thu, 18 Aug 2016 17:42:41 +0300 Subject: [PATCH 58/92] Change the default UUID --- tardis/conftest.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 0525bf09318..a3767477f4a 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -58,7 +58,7 @@ except NameError: # Needed to support Astropy <= 1.0.0 pass -DEFAULT_UUID = '06709f04d369f07c58e01a7d0f34bd10' +DEFAULT_UUID = '94af35cb55d22ec5020914ea9409a1cb' # ------------------------------------------------------------------------- # Initialization @@ -108,7 +108,7 @@ def atomic_data_fname(tardis_ref_path): @pytest.fixture(scope="session") def atomic_dataset(atomic_data_fname): atomic_data = AtomData.from_hdf(atomic_data_fname) - + if atomic_data.md5 != DEFAULT_UUID: pytest.skip('Need default Kurucz atomic dataset (md5="{}"'.format(DEFAULT_UUID)) else: From 61bf9c8bc2c40445f08c990c990596b38d8c50f7 Mon Sep 17 00:00:00 2001 From: Mikhail Mishin Date: Tue, 23 Aug 2016 00:20:22 +0300 Subject: [PATCH 59/92] Change method name --- tardis/base.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/base.py b/tardis/base.py index 7644e2beea7..58a8a539c6d 100644 --- a/tardis/base.py +++ b/tardis/base.py @@ -25,7 +25,7 @@ def run_tardis(config, atom_data=None): if atom_data is not None: try: - atom_data = AtomData.from_hdf5(atom_data) + atom_data = AtomData.from_hdf(atom_data) except TypeError: atom_data = atom_data From b03161e8c804c5b6d2a5a5816f7e26bab97dadd9 Mon Sep 17 00:00:00 2001 From: Fotis Tsamis Date: Sat, 14 Jan 2017 15:45:33 +0200 Subject: [PATCH 60/92] Print a 'non provided' AtomData logging info message only if there are non provided atomic data. --- tardis/io/atomic.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 4d8b779ba2e..129150e4ef0 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -162,9 +162,11 @@ def from_hdf(cls, fname): # ToDo: strore data sources as attributes in carsus logger.info( - "Read Atom Data with UUID={0} and MD5={1}. " - "Not found: {2}".format(atom_data.uuid1, atom_data.md5, ", ".join(nonavailable)) - ) + "Read Atom Data with UUID={0} and MD5={1}.".format( + atom_data.uuid1, atom_data.md5)) + if nonavailable: + logger.info("Non provided atomic data: {0}".format( + ", ".join(nonavailable))) return atom_data From 26ecf387f3e2f7e8619e6a683e7065ef4ac7c6d9 Mon Sep 17 00:00:00 2001 From: Fotis Tsamis Date: Sun, 15 Jan 2017 16:00:19 +0200 Subject: [PATCH 61/92] Rename leftover calls of AtomData.from_hdf5 to AtomData.from_hdf. --- docs/atomic/atomic_data_description.rst | 2 +- docs/physics/plasma.rst | 2 +- docs/physics/plasma/plasma_plots/lte_ionization_balance.py | 2 +- docs/physics/plasma/plasma_plots/nebular_ionization_balance.py | 2 +- tardis/plasma/standard_plasmas.py | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/docs/atomic/atomic_data_description.rst b/docs/atomic/atomic_data_description.rst index 58a092c85e6..8fc2e898c76 100644 --- a/docs/atomic/atomic_data_description.rst +++ b/docs/atomic/atomic_data_description.rst @@ -205,7 +205,7 @@ Macro Atom References The Atom Data Class ------------------- -Atom Data is stored inside TARDIS in the :class:`AtomData`-class. The class method :func:`AtomData.from_hdf5` will +Atom Data is stored inside TARDIS in the :class:`AtomData`-class. The class method :func:`AtomData.from_hdf` will instantiate a new `AtomData`-class from an HDF5 file. If none is given it will automatically take the default HDF5-dataset shipped with TARDIS. A second function :func:`AtomData.prepare_atom_data` will cut the levels and lines data to only the required atoms and ions. In addition, it will create the intricate system diff --git a/docs/physics/plasma.rst b/docs/physics/plasma.rst index fb1009d34c4..c7a839c9776 100644 --- a/docs/physics/plasma.rst +++ b/docs/physics/plasma.rst @@ -47,7 +47,7 @@ Here's an example how to instantiate a simple base plasma:: >>> from tardis import plasma >>> from tardis.io import atomic - >>> atom_data = atomic.AtomData.from_hdf5() + >>> atom_data = atomic.AtomData.from_hdf() >>> my_plasma = plasma.BasePlasma({'Fe':0.5, 'Ni':0.5}, 10000, 1e-13, atom_data) >>> print my_plasma.abundances atomic_number abundance_fraction number_density diff --git a/docs/physics/plasma/plasma_plots/lte_ionization_balance.py b/docs/physics/plasma/plasma_plots/lte_ionization_balance.py index 699d7ce1f6b..76c18161177 100644 --- a/docs/physics/plasma/plasma_plots/lte_ionization_balance.py +++ b/docs/physics/plasma/plasma_plots/lte_ionization_balance.py @@ -19,7 +19,7 @@ atom_fname = os.path.join(os.path.dirname(atomic.__file__), 'data', 'atom_data.h5') # reading in the HDF5 File -atom_data = atomic.AtomData.from_hdf5(atom_fname) +atom_data = atomic.AtomData.from_hdf(atom_fname) #The atom_data needs to be prepared to create indices. The Class needs to know which atomic numbers are needed for the #calculation and what line interaction is needed (for "downbranch" and "macroatom" the code creates special tables) diff --git a/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py b/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py index f329ddb1a35..954e127588d 100644 --- a/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py +++ b/docs/physics/plasma/plasma_plots/nebular_ionization_balance.py @@ -20,7 +20,7 @@ atom_fname = os.path.expanduser('~/.tardis/si_kurucz.h5') # reading in the HDF5 File -atom_data = atomic.AtomData.from_hdf5(atom_fname) +atom_data = atomic.AtomData.from_hdf(atom_fname) #The atom_data needs to be prepared to create indices. The Class needs to know which atomic numbers are needed for the #calculation and what line interaction is needed (for "downbranch" and "macroatom" the code creates special tables) diff --git a/tardis/plasma/standard_plasmas.py b/tardis/plasma/standard_plasmas.py index 85a047c505f..af10f52b0a0 100644 --- a/tardis/plasma/standard_plasmas.py +++ b/tardis/plasma/standard_plasmas.py @@ -73,7 +73,7 @@ def assemble_plasma(config, model, atom_data=None): raise ValueError('No atom_data option found in the configuration.') logger.info('Reading Atomic Data from %s', atom_data_fname) - atom_data = atomic.AtomData.from_hdf5(atom_data_fname) + atom_data = atomic.AtomData.from_hdf(atom_data_fname) atom_data.prepare_atom_data( model.abundance.index, From 4e2265f089ad0a899c3238a8219dea8057b141a6 Mon Sep 17 00:00:00 2001 From: yeganer Date: Tue, 1 Aug 2017 12:26:41 +0200 Subject: [PATCH 62/92] Finish rebase onto upstream/master --- tardis/conftest.py | 1 + tardis/io/atomic.py | 2 +- tardis/montecarlo/tests/test_spectrum.py | 2 +- 3 files changed, 3 insertions(+), 2 deletions(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index a3767477f4a..5cc215da2ae 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -11,6 +11,7 @@ from tardis.io.atomic import AtomData from tardis.io.util import yaml_load_config_file +from tardis.io.config_reader import Configuration from tardis.simulation import Simulation from copy import deepcopy diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 129150e4ef0..d35832a2a43 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -135,7 +135,7 @@ def from_hdf(cls, fname): dataframes = dict() nonavailable = list() - with pd.HDFStore(fname) as store: + with pd.HDFStore(fname, 'r') as store: for name in cls.hdf_names: try: dataframes[name] = store[name] diff --git a/tardis/montecarlo/tests/test_spectrum.py b/tardis/montecarlo/tests/test_spectrum.py index 5d7beadc30f..2ff064cb122 100644 --- a/tardis/montecarlo/tests/test_spectrum.py +++ b/tardis/montecarlo/tests/test_spectrum.py @@ -125,7 +125,7 @@ def test_luminosity_to_flux(): flux = TARDISSpectrum.luminosity_to_flux(lum, distance) test_helper.assert_quantity_allclose( flux, - u.Quantity(lum.value / np.pi, 'erg/s/cm^2') + u.Quantity(lum.value / np.pi, 'erg s^-1 cm^-2') ) From c3c1acc615d5aae81bbce43c05bc862d20ae4386 Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 10 Aug 2017 09:04:49 +0200 Subject: [PATCH 63/92] Update the test database to the new format --- tardis/tests/data/chianti_he_db.h5 | Bin 262179 -> 2291112 bytes 1 file changed, 0 insertions(+), 0 deletions(-) diff --git a/tardis/tests/data/chianti_he_db.h5 b/tardis/tests/data/chianti_he_db.h5 index d374ba696c67e14453915e699cd7aec9a623779c..1811ae9f13b6ebce62f1e901fb0ded3667bb25e5 100644 GIT binary patch literal 2291112 zcmeF42|!KT{>M)VDMOiOkrJhnDdReO7nP}!d1?|xlO_=%Q|8Q>rw|Gi5+Mx~MPwGD zqzD-@5C66I{{2ol_wIY%egFI3|GxL{+^f$XzH9oed98i+Sz>A4zm{54H3|1oRh6hn 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z96Qscym;ONo_SLwpOSQk!gf0%5mq-a-SsoFjoTH1`#%O<)Nuh+ae#Z{sxwsWt8~}y zcY*`0cXmo?Ize!~C6#pLF`#=X$D*Ko42rG>zl~{e1O}!Zt4)8`-42fD)s&9lGVY$^ z_S6BK$G-)P+B?9`ZI@c3m>jn760YBW@_u!qWf#Z1pT&*d>~-~l!`&!TH`N1-X_XDt zvR%NCcP09)ofA-4H_>$TIYPQ(obZko2QYk`D=SCt08_@#U!Co;!~I|{8KlQ-p*Z!- z*$81Laz9Yc~z^*f#agPmXq;pismsmsgjDB6+F>8npu@9o>um-DEW+A8VR^XQ= zB5?Jo75FpqO?`;40-~^{3l$DlaK_@zM{;E=xIG-cp3jZXx$F^x%x1RuE^@VPM@?w_hVD0wv;gc(-`hs?rZK;L$xODG)pF9l!sBnyWI@d06z zA7P;PfO^osF$@kiOV#z`{i?cEJ^d5juWIj-Q@z0Z70r_N;eDsWz;klt)wBPxUlFd~ zf8!Ob^&2VZb%3{n;>?C>wvcMQlXh3THR#$5wdBfM!^`_s%1awokk+}_>$GSEG!fCR zcDt-0ohQKlm#Q^5^!V{jM_A*&q^9qp9oFEn;<(gB?Cy)a;5>v|^W?VEX*l)~e#+bQArcBv-A%7H5| zaNua8_U8x?H9X%hQyUI_1@C=D4e;@(MApfD;V{Qvxlp?&92WN8KdK-a4nG;l>Fn@* zCAXA#`P$`hxV7dkm{AuFT7qihh7=KS@nc^@k6{GFJ-D{-M_L3pDd$@m{)&LYK%W)a z!njSvfUsGte7lp YTQj5Z=U Date: Thu, 10 Aug 2017 09:04:34 +0200 Subject: [PATCH 64/92] Change ionization_data from DataFrame to Series --- tardis/io/atomic.py | 3 +- tardis/io/tests/test_atomic.py | 2 +- tardis/plasma/properties/atomic.py | 32 ++++++++++++---------- tardis/plasma/properties/ion_population.py | 14 +++++----- tardis/plasma/properties/nlte.py | 4 +-- 5 files changed, 30 insertions(+), 25 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index d35832a2a43..7dcb5b1c1e9 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -188,7 +188,8 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, atom_data.loc[:, "mass"] = atom_data["mass"].values * const.u.cgs # Convert ionization energies to CGS - ionization_data.loc[:, "ionization_energy"] = Quantity(ionization_data["ionization_energy"].values, "eV").cgs + ionization_data = ionization_data.squeeze() + ionization_data[:] = Quantity(ionization_data[:], "eV").cgs # Convert energy to CGS levels.loc[:, "energy"] = Quantity(levels["energy"].values, 'eV').cgs diff --git a/tardis/io/tests/test_atomic.py b/tardis/io/tests/test_atomic.py index bc80b5f431a..ae75758d73e 100644 --- a/tardis/io/tests/test_atomic.py +++ b/tardis/io/tests/test_atomic.py @@ -35,7 +35,7 @@ def test_atom_data_basic_atom_data(basic_atom_data): def test_atom_data_ionization_data(ionization_data): assert_quantity_allclose( - ionization_data.at[(2, 1), 'ionization_energy'] * u.Unit('erg'), + ionization_data.loc[(2, 1)] * u.Unit('erg'), 24.587387936 * u.Unit('eV') ) diff --git a/tardis/plasma/properties/atomic.py b/tardis/plasma/properties/atomic.py index af6f0f250d3..20d88dde435 100644 --- a/tardis/plasma/properties/atomic.py +++ b/tardis/plasma/properties/atomic.py @@ -126,28 +126,32 @@ def calculate(self, atomic_data, selected_atoms): class IonizationData(BaseAtomicDataProperty): """ Attributes: - ionization_data : Pandas DataFrame - Ionization energies. Indexed by atomic number, ion number. + ionization_data : Pandas Series holding ionization energies + Indexed by atomic number, ion number. """ outputs = ('ionization_data',) def _filter_atomic_property(self, ionization_data, selected_atoms): - ionization_data['atomic_number'] = ionization_data.index.labels[0] + 1 - ionization_data['ion_number'] = ionization_data.index.labels[1] + 1 - ionization_data = ionization_data[ionization_data.atomic_number.isin( - selected_atoms)] - ion_data_check = counter(ionization_data.atomic_number.values) - keys = np.array(ion_data_check.keys()) - values = np.array(ion_data_check.values()) - if np.alltrue(keys == values): + mask = ionization_data.index.isin( + selected_atoms, + level='atomic_number' + ) + ionization_data = ionization_data[mask] + counts = ionization_data.groupby( + level='atomic_number').count() + + if np.alltrue(counts.index == counts): return ionization_data else: - raise IncompleteAtomicData('ionization data for the ion (' + - str(keys[keys != values]) + - str(values[keys != values]) + ')') + raise IncompleteAtomicData( + 'ionization data for the ion ({}, {})'.format( + str(counts.index[counts.index != counts]), + str(counts[counts.index != counts]) + ) + ) def _set_index(self, ionization_data): - return ionization_data.set_index(['atomic_number', 'ion_number']) + return ionization_data class ZetaData(BaseAtomicDataProperty): """ diff --git a/tardis/plasma/properties/ion_population.py b/tardis/plasma/properties/ion_population.py index e7fb8f530d7..3ee8fe5913c 100644 --- a/tardis/plasma/properties/ion_population.py +++ b/tardis/plasma/properties/ion_population.py @@ -55,7 +55,7 @@ def calculate(g_electron, beta_rad, partition_function, ionization_data): phis[start_id - i:end_id - i - 1] = current_phis broadcast_ionization_energy = ( - ionization_data.ionization_energy.ix[ + ionization_data.loc[ partition_function.index].dropna()) phi_index = broadcast_ionization_energy.index broadcast_ionization_energy = broadcast_ionization_energy.values @@ -133,7 +133,7 @@ def _set_chi_0(self, ionization_data): if self.chi_0_species == (20, 2): self.chi_0 = 1.9020591570241798e-11 else: - self.chi_0 = ionization_data.ionization_energy.ix[self.chi_0_species] + self.chi_0 = ionization_data.loc[self.chi_0_species] def calculate(self, w, ionization_data, beta_rad, t_electrons, t_rad, beta_electron): @@ -147,16 +147,16 @@ def calculate(self, w, ionization_data, beta_rad, t_electrons, t_rad, radiation_field_correction = -np.ones((len(ionization_data), len( beta_rad))) less_than_chi_0 = ( - ionization_data.ionization_energy < self.chi_0).values + ionization_data < self.chi_0).values factor_a = (t_electrons / (departure_coefficient * w * t_rad)) radiation_field_correction[~less_than_chi_0] = factor_a * \ - np.exp(np.outer(ionization_data.ionization_energy.values[ + np.exp(np.outer(ionization_data.values[ ~less_than_chi_0], beta_rad - beta_electron)) radiation_field_correction[less_than_chi_0] = 1 - np.exp(np.outer( - ionization_data.ionization_energy.values[less_than_chi_0], + ionization_data.values[less_than_chi_0], beta_rad) - beta_rad * self.chi_0) radiation_field_correction[less_than_chi_0] += factor_a * np.exp( - np.outer(ionization_data.ionization_energy.values[ + np.outer(ionization_data.values[ less_than_chi_0],beta_rad) - self.chi_0 * beta_electron) else: radiation_field_correction = np.ones((len(ionization_data), @@ -323,4 +323,4 @@ def calculate(self, phi, partition_function, number_density, / n_electron < n_e_convergence_threshold): break n_electron = 0.5 * (new_n_electron + n_electron) - return ion_number_density, n_electron, helium_population_updated \ No newline at end of file + return ion_number_density, n_electron, helium_population_updated diff --git a/tardis/plasma/properties/nlte.py b/tardis/plasma/properties/nlte.py index ee7254ef0bd..f8e3d169ba1 100644 --- a/tardis/plasma/properties/nlte.py +++ b/tardis/plasma/properties/nlte.py @@ -82,7 +82,7 @@ def calculate_helium_one(g_electron, beta_rad, ionization_data, """ return level_boltzmann_factor.ix[2,0] * (1./(2*g.ix[2,1,0])) * \ (1/g_electron) * (1/(w**2.)) * np.exp( - ionization_data.ionization_energy.ix[2,1] * beta_rad) + ionization_data.loc[2,1] * beta_rad) @staticmethod def calculate_helium_three(t_rad, w, zeta_data, t_electrons, delta, @@ -93,7 +93,7 @@ def calculate_helium_three(t_rad, w, zeta_data, t_electrons, delta, zeta = PhiSahaNebular.get_zeta_values(zeta_data, 2, t_rad)[1] he_three_population = 2 * \ (float(g.ix[2,2,0])/g.ix[2,1,0]) * g_electron * \ - np.exp(-ionization_data.ionization_energy.ix[2,2] * beta_rad) \ + np.exp(-ionization_data.loc[2,2] * beta_rad) \ * w * (delta.ix[2,2] * zeta + w * (1. - zeta)) * \ (t_electrons / t_rad) ** 0.5 return he_three_population From a1ac05ad6d0fcd1b7b9e86601dca0513a13abedf Mon Sep 17 00:00:00 2001 From: yeganer Date: Tue, 22 Aug 2017 10:54:51 +0200 Subject: [PATCH 65/92] [PEP8] Fixes in tardis/io/atomic.py --- tardis/io/atomic.py | 39 ++++++++++++++++++++++++++++++--------- 1 file changed, 30 insertions(+), 9 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 7dcb5b1c1e9..2ecacfb6241 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -425,31 +425,52 @@ def _create_collision_coefficient_matrix(self): collision_group = self.atom_data.collision_data.groupby(level=['atomic_number', 'ion_number']) for species in self.nlte_species: no_of_levels = self.atom_data.levels.ix[species].energy.count() - C_ul_matrix = np.zeros((no_of_levels, no_of_levels, len(self.atom_data.collision_data_temperatures))) + C_ul_matrix = np.zeros( + ( + no_of_levels, + no_of_levels, + len(self.atom_data.collision_data_temperatures)) + ) delta_E_matrix = np.zeros((no_of_levels, no_of_levels)) g_ratio_matrix = np.zeros((no_of_levels, no_of_levels)) - for (atomic_number, ion_number, level_number_lower, level_number_upper), line in \ - collision_group.get_group(species).iterrows(): + for ( + atomic_number, + ion_number, + level_number_lower, + level_number_upper), line in ( + collision_group.get_group(species).iterrows()): + # line.columns : delta_e, g_ratio, temperatures ... C_ul_matrix[level_number_lower, level_number_upper, :] = line.values[2:] delta_E_matrix[level_number_lower, level_number_upper] = line['delta_e'] #TODO TARDISATOMIC fix change the g_ratio to be the otherway round - I flip them now here. g_ratio_matrix[level_number_lower, level_number_upper] = line['g_ratio'] - self.C_ul_interpolator[species] = interpolate.interp1d(self.atom_data.collision_data_temperatures, - C_ul_matrix) + self.C_ul_interpolator[species] = interpolate.interp1d( + self.atom_data.collision_data_temperatures, + C_ul_matrix) self.delta_E_matrices[species] = delta_E_matrix self.g_ratio_matrices[species] = g_ratio_matrix - def get_collision_matrix(self, species, t_electrons): + ''' + Creat collision matrix by interpolating the C_ul values for + the desired temperatures. + ''' c_ul_matrix = self.C_ul_interpolator[species](t_electrons) no_of_levels = c_ul_matrix.shape[0] c_ul_matrix[np.isnan(c_ul_matrix)] = 0.0 #TODO in tardisatomic the g_ratio is the other way round - here I'll flip it in prepare_collision matrix - c_lu_matrix = c_ul_matrix * np.exp(-self.delta_E_matrices[species].reshape((no_of_levels, no_of_levels, 1)) / - t_electrons.reshape((1, 1, t_electrons.shape[0]))) * \ - self.g_ratio_matrices[species].reshape((no_of_levels, no_of_levels, 1)) + c_lu_matrix = ( + c_ul_matrix * np.exp( + -self.delta_E_matrices[species].reshape( + (no_of_levels, no_of_levels, 1)) / + t_electrons.reshape( + (1, 1, t_electrons.shape[0])) + ) * + self.g_ratio_matrices[species].reshape( + (no_of_levels, no_of_levels, 1)) + ) return c_ul_matrix + c_lu_matrix.transpose(1, 0, 2) From 369986bba52e0fdef58f049765a089767f0116bc Mon Sep 17 00:00:00 2001 From: yeganer Date: Tue, 22 Aug 2017 22:48:36 +0200 Subject: [PATCH 66/92] [PEP8] Fixes in tardis/io/atomic.py --- tardis/io/atomic.py | 132 +++++++++++++++++++++++++++++--------------- 1 file changed, 89 insertions(+), 43 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 2ecacfb6241..bc9875bf368 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -107,9 +107,19 @@ class AtomData(object): """ - hdf_names = ["atom_data", "ionization_data", "levels", "lines", - "macro_atom_data", "macro_atom_references", "zeta_data", "collision_data", - "collision_data_temperatures", "synpp_refs", "ion_cx_th_data", "ion_cx_sp_data"] + hdf_names = [ + "atom_data", + "ionization_data", + "levels", + "lines", + "macro_atom_data", + "macro_atom_references", + "zeta_data", + "collision_data", + "collision_data_temperatures", + "synpp_refs", + "ion_cx_th_data", + "ion_cx_sp_data"] # List of tuples of the related dataframes. # Either all or none of the related dataframes must be given @@ -129,9 +139,6 @@ def from_hdf(cls, fname): (default: None) """ - if not os.path.exists(fname): - raise ValueError("Supplied Atomic Model Database %s does not exists" % fname) - dataframes = dict() nonavailable = list() @@ -170,20 +177,25 @@ def from_hdf(cls, fname): return atom_data - def __init__(self, atom_data, ionization_data, levels=None, lines=None, - macro_atom_data=None, macro_atom_references=None, zeta_data=None, - collision_data=None, collision_data_temperatures=None, synpp_refs=None, - ion_cx_th_data=None, ion_cx_sp_data=None): + def __init__( + self, atom_data, ionization_data, levels=None, lines=None, + macro_atom_data=None, macro_atom_references=None, + zeta_data=None, collision_data=None, + collision_data_temperatures=None, synpp_refs=None, + ion_cx_th_data=None, ion_cx_sp_data=None): self.prepared = False # CONVERT VALUES TO CGS UNITS # Convert atomic masses to CGS - # We have to use constants.u because astropy uses different values for the unit u and the constant. - # This is changed in later versions of astropy (the value of constants.u is used in all cases) + # We have to use constants.u because astropy uses + # different values for the unit u and the constant. + # This is changed in later versions of astropy ( + # the value of constants.u is used in all cases) if u.u.cgs == const.u.cgs: - atom_data.loc[:, "mass"] = Quantity(atom_data["mass"].values, "u").cgs + atom_data.loc[:, "mass"] = Quantity( + atom_data["mass"].values, "u").cgs else: atom_data.loc[:, "mass"] = atom_data["mass"].values * const.u.cgs @@ -195,7 +207,8 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, levels.loc[:, "energy"] = Quantity(levels["energy"].values, 'eV').cgs # Create a new columns with wavelengths in the CGS units - lines.loc[:, 'wavelength_cm'] = Quantity(lines['wavelength'], 'angstrom').cgs + lines.loc[:, 'wavelength_cm'] = Quantity( + lines['wavelength'], 'angstrom').cgs # SET ATTRIBUTES @@ -219,26 +232,37 @@ def __init__(self, atom_data, ionization_data, levels=None, lines=None, self._check_related() - self.symbol2atomic_number = OrderedDict(zip(self.atom_data['symbol'].values, self.atom_data.index)) - self.atomic_number2symbol = OrderedDict(zip(self.atom_data.index, self.atom_data['symbol'])) + self.symbol2atomic_number = OrderedDict( + zip(self.atom_data['symbol'].values, self.atom_data.index)) + self.atomic_number2symbol = OrderedDict( + zip(self.atom_data.index, self.atom_data['symbol'])) def _check_related(self): - """ Check that either all or none of the related dataframes are given.""" + """ + Check that either all or none of the related dataframes are given. + """ for group in self.related_groups: - check_list = [name for name in group if getattr(self, name) is None] + check_list = [ + name for name in group if getattr(self, name) is None] if len(check_list) != 0 and len(check_list) != len(group): raise AtomDataMissingError( "The following dataframes from the related group [{0}] " - "were not given: {1}".format(", ".join(group), ", ".join(check_list)) - ) + "were not given: {1}".format( + ", ".join(group), + ", ".join(check_list) + ) + ) - def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scatter', max_ion_number=None, - nlte_species=[]): + def prepare_atom_data( + self, selected_atomic_numbers, + line_interaction_type='scatter', + max_ion_number=None, nlte_species=[]): """ - Prepares the atom data to set the lines, levels and if requested macro atom data. - This function mainly cuts the `levels` and `lines` by discarding any data that is not needed (any data - for atoms that are not needed + Prepares the atom data to set the lines, levels and if requested macro + atom data. This function mainly cuts the `levels` and `lines` by + discarding any data that is not needed (any data for atoms that are not + needed Parameters ---------- @@ -262,41 +286,63 @@ def prepare_atom_data(self, selected_atomic_numbers, line_interaction_type='scat self.nlte_species = nlte_species self.levels = self.levels.reset_index(drop=True) - self.levels = self.levels.loc[self.levels['atomic_number'].isin(self.selected_atomic_numbers)].copy() + self.levels = self.levels.loc[self.levels['atomic_number'].isin( + self.selected_atomic_numbers)].copy() if max_ion_number is not None: - self.levels = self.levels.loc[self.levels['ion_number'] <= max_ion_number].copy() + self.levels = self.levels.loc[ + self.levels['ion_number'] <= max_ion_number].copy() + + self.levels = self.levels.set_index( + ['atomic_number', 'ion_number', 'level_number']) + + self.levels_index = pd.Series( + np.arange(len(self.levels), dtype=int), + index=self.levels.index) - self.levels = self.levels.set_index(['atomic_number', 'ion_number', 'level_number']) + # cutting levels_lines + self.lines = self.lines.loc[self.lines['atomic_number'].isin( + self.selected_atomic_numbers)].copy() - self.levels_index = pd.Series(np.arange(len(self.levels), dtype=int), index=self.levels.index) - #cutting levels_lines - self.lines = self.lines.loc[self.lines['atomic_number'].isin(self.selected_atomic_numbers)].copy() if max_ion_number is not None: - self.lines = self.lines.loc[self.lines['ion_number'] <= max_ion_number].copy() + self.lines = self.lines.loc[ + self.lines['ion_number'] <= max_ion_number].copy() - # self.lines.sort(['wavelength', 'line_id'], inplace=True) self.lines.sort_values(by='wavelength', inplace=True) self.lines.set_index('line_id', inplace=True) - self.lines_index = pd.Series(np.arange(len(self.lines), dtype=int), index=self.lines.index) + self.lines_index = pd.Series( + np.arange(len(self.lines), dtype=int), + index=self.lines.index) - tmp_lines_lower2level_idx = pd.MultiIndex.from_arrays([ - self.lines['atomic_number'], self.lines['ion_number'],self.lines['level_number_lower'] - ]) + tmp_lines_lower2level_idx = pd.MultiIndex.from_arrays( + [ + self.lines['atomic_number'], + self.lines['ion_number'], + self.lines['level_number_lower'] + ]) - self.lines_lower2level_idx = self.levels_index.ix[tmp_lines_lower2level_idx].astype(np.int64).values + self.lines_lower2level_idx = ( + self.levels_index.ix[tmp_lines_lower2level_idx]. + astype(np.int64).values) - tmp_lines_upper2level_idx = pd.MultiIndex.from_arrays([ - self.lines['atomic_number'], self.lines['ion_number'], self.lines['level_number_upper'] - ]) + tmp_lines_upper2level_idx = pd.MultiIndex.from_arrays( + [ + self.lines['atomic_number'], + self.lines['ion_number'], + self.lines['level_number_upper'] + ]) - self.lines_upper2level_idx = self.levels_index.ix[tmp_lines_upper2level_idx].astype(np.int64).values + self.lines_upper2level_idx = ( + self.levels_index.ix[tmp_lines_upper2level_idx]. + astype(np.int64).values) self.atom_ion_index = None self.levels_index2atom_ion_index = None - if self.macro_atom_data_all is not None and not line_interaction_type == 'scatter': + if ( + self.macro_atom_data_all is not None and + not line_interaction_type == 'scatter'): self.macro_atom_data = self.macro_atom_data_all.loc[ self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers) From 3abc7f279cbaeade71bda119853a27591d10e9ec Mon Sep 17 00:00:00 2001 From: yeganer Date: Wed, 23 Aug 2017 08:45:49 +0200 Subject: [PATCH 67/92] The AtomData now comes with indexes set That means we don't need to set indexes in tardis. Additionally all 'copys' were removed as there does not seem to be a special need for them. --- tardis/io/atomic.py | 61 ++++++++++++++++++--------------------------- 1 file changed, 24 insertions(+), 37 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index bc9875bf368..50d0c9f1f3b 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -284,54 +284,43 @@ def prepare_atom_data( self.selected_atomic_numbers = selected_atomic_numbers self.nlte_species = nlte_species - self.levels = self.levels.reset_index(drop=True) - self.levels = self.levels.loc[self.levels['atomic_number'].isin( - self.selected_atomic_numbers)].copy() + self.levels = self.levels[ + self.levels.index.isin( + self.selected_atomic_numbers, + level='atomic_number')] if max_ion_number is not None: - self.levels = self.levels.loc[ - self.levels['ion_number'] <= max_ion_number].copy() - - self.levels = self.levels.set_index( - ['atomic_number', 'ion_number', 'level_number']) + self.levels = self.levels[ + self.levels.index.get_level_values('ion_number') <= max_ion_number + ] + self.lines = self.lines[ + self.lines.index.get_level_values('ion_number') <= max_ion_number + ] self.levels_index = pd.Series( np.arange(len(self.levels), dtype=int), - index=self.levels.index) + index=self.levels.set_index('line_id').index) # cutting levels_lines - self.lines = self.lines.loc[self.lines['atomic_number'].isin( - self.selected_atomic_numbers)].copy() - - if max_ion_number is not None: - self.lines = self.lines.loc[ - self.lines['ion_number'] <= max_ion_number].copy() + self.lines = self.lines[ + self.lines.index.isin( + self.selected_atomic_numbers, + level='atomic_number')] self.lines.sort_values(by='wavelength', inplace=True) - self.lines.set_index('line_id', inplace=True) self.lines_index = pd.Series( np.arange(len(self.lines), dtype=int), index=self.lines.index) - tmp_lines_lower2level_idx = pd.MultiIndex.from_arrays( - [ - self.lines['atomic_number'], - self.lines['ion_number'], - self.lines['level_number_lower'] - ]) + tmp_lines_lower2level_idx = self.lines.index.droplevel('level_number_upper') self.lines_lower2level_idx = ( self.levels_index.ix[tmp_lines_lower2level_idx]. astype(np.int64).values) - tmp_lines_upper2level_idx = pd.MultiIndex.from_arrays( - [ - self.lines['atomic_number'], - self.lines['ion_number'], - self.lines['level_number_upper'] - ]) + tmp_lines_upper2level_idx = self.lines.index.droplevel('level_number_lower') self.lines_upper2level_idx = ( self.levels_index.ix[tmp_lines_upper2level_idx]. @@ -346,16 +335,18 @@ def prepare_atom_data( self.macro_atom_data = self.macro_atom_data_all.loc[ self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers) - ].copy() + ] if max_ion_number is not None: self.macro_atom_data = self.macro_atom_data.loc[ self.macro_atom_data['ion_number'] <= max_ion_number - ].copy() + ] - self.macro_atom_references = self.macro_atom_references_all.loc[ - self.macro_atom_references_all['atomic_number'].isin(self.selected_atomic_numbers) - ].copy() + self.macro_atom_references = self.macro_atom_references_all[ + self.macro_atom_references_all.index.isin( + self.selected_atomic_numbers, + level='atomic_number') + ] if max_ion_number is not None: self.macro_atom_references = self.macro_atom_references.loc[ @@ -379,10 +370,6 @@ def prepare_atom_data( (0, np.cumsum(self.macro_atom_references['count_total'].values[:-1])) ) - self.macro_atom_references = self.macro_atom_references.set_index( - ['atomic_number', 'ion_number', 'source_level_number'] - ) - self.macro_atom_references.loc[:, "references_idx"] = np.arange(len(self.macro_atom_references)) self.macro_atom_data.loc[:, "lines_idx"] = self.lines_index.ix[ From 6bfbdeb789a5a16b86958e0658a66525e0927625 Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 08:16:54 +0200 Subject: [PATCH 68/92] Fix several issues with indices --- tardis/io/atomic.py | 22 +++---------------- tardis/plasma/properties/atomic.py | 10 +++------ tardis/plasma/properties/nlte.py | 5 ++++- .../plasma/properties/radiative_properties.py | 2 +- 4 files changed, 11 insertions(+), 28 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 50d0c9f1f3b..e15dbe1b418 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -300,7 +300,7 @@ def prepare_atom_data( self.levels_index = pd.Series( np.arange(len(self.levels), dtype=int), - index=self.levels.set_index('line_id').index) + index=self.levels.index) # cutting levels_lines self.lines = self.lines[ @@ -312,7 +312,7 @@ def prepare_atom_data( self.lines_index = pd.Series( np.arange(len(self.lines), dtype=int), - index=self.lines.index) + index=self.lines.set_index('line_id').index) tmp_lines_lower2level_idx = self.lines.index.droplevel('level_number_upper') @@ -407,17 +407,14 @@ def __repr__(self): class NLTEData(object): def __init__(self, atom_data, nlte_species): self.atom_data = atom_data - self.lines = atom_data.lines.reset_index(drop=True) + self.lines = atom_data.lines.reset_index() self.nlte_species = nlte_species if nlte_species: logger.info('Preparing the NLTE data') self._init_indices() - self._create_nlte_mask() if atom_data.collision_data is not None: self._create_collision_coefficient_matrix() - else: - self._create_nlte_mask() def _init_indices(self): self.lines_idx = {} @@ -438,19 +435,6 @@ def _init_indices(self): self.B_uls[species] = self.atom_data.lines.B_ul.values[lines_idx] self.B_lus[species] = self.atom_data.lines.B_lu.values[lines_idx] - def _create_nlte_mask(self): - self.nlte_levels_mask = np.zeros(self.atom_data.levels.energy.count()).astype(bool) - self.nlte_lines_mask = np.zeros(self.atom_data.lines.wavelength.count()).astype(bool) - - for species in self.nlte_species: - current_levels_mask = (self.atom_data.levels.index.get_level_values(0) == species[0]) & \ - (self.atom_data.levels.index.get_level_values(1) == species[1]) - current_lines_mask = (self.atom_data.lines.atomic_number.values == species[0]) & \ - (self.atom_data.lines.ion_number.values == species[1]) - self.nlte_levels_mask |= current_levels_mask - self.nlte_lines_mask |= current_lines_mask - - def _create_collision_coefficient_matrix(self): self.C_ul_interpolator = {} self.delta_E_matrices = {} diff --git a/tardis/plasma/properties/atomic.py b/tardis/plasma/properties/atomic.py index 20d88dde435..85349934d89 100644 --- a/tardis/plasma/properties/atomic.py +++ b/tardis/plasma/properties/atomic.py @@ -62,7 +62,7 @@ def _filter_atomic_property(self, lines, selected_atoms): return lines def _set_index(self, lines): - # lines = lines.set_index('line_id') + # lines.set_index('line_id', inplace=True) return lines, lines['nu'], lines['f_lu'], lines['wavelength_cm'] class LinesLowerLevelIndex(HiddenPlasmaProperty): @@ -75,9 +75,7 @@ class LinesLowerLevelIndex(HiddenPlasmaProperty): def calculate(self, levels, lines): levels_index = pd.Series(np.arange(len(levels), dtype=np.int64), index=levels) - lines_index = lines.set_index( - ['atomic_number', 'ion_number', - 'level_number_lower']).index + lines_index = lines.index.droplevel('level_number_upper') return np.array(levels_index.ix[lines_index]) class LinesUpperLevelIndex(HiddenPlasmaProperty): @@ -91,9 +89,7 @@ class LinesUpperLevelIndex(HiddenPlasmaProperty): def calculate(self, levels, lines): levels_index = pd.Series(np.arange(len(levels), dtype=np.int64), index=levels) - lines_index = lines.set_index( - ['atomic_number', 'ion_number', - 'level_number_upper']).index + lines_index = lines.index.droplevel('level_number_lower') return np.array(levels_index.ix[lines_index]) class IonCXData(BaseAtomicDataProperty): diff --git a/tardis/plasma/properties/nlte.py b/tardis/plasma/properties/nlte.py index f8e3d169ba1..b87cac8860b 100644 --- a/tardis/plasma/properties/nlte.py +++ b/tardis/plasma/properties/nlte.py @@ -22,7 +22,10 @@ class PreviousElectronDensities(PreviousIterationProperty): outputs = ('previous_electron_densities',) def set_initial_value(self, kwargs): - initial_value = np.ones(len(kwargs['abundance'].columns))*1000000.0 + initial_value = pd.Series( + 1000000.0, + index=kwargs['abundance'].columns, + ) self._set_initial_value(initial_value) class PreviousBetaSobolev(PreviousIterationProperty): diff --git a/tardis/plasma/properties/radiative_properties.py b/tardis/plasma/properties/radiative_properties.py index ba28156015d..34c307480d7 100644 --- a/tardis/plasma/properties/radiative_properties.py +++ b/tardis/plasma/properties/radiative_properties.py @@ -68,7 +68,7 @@ def calculate(self, g, level_number_density, lines_lower_level_index, stimulated_emission_factor[meta_stable_upper & (stimulated_emission_factor < 0)] = 0.0 if self.nlte_species: - nlte_lines_mask = lines.apply( + nlte_lines_mask = lines.reset_index().apply( lambda row: (row.atomic_number, row.ion_number) in self.nlte_species, axis=1 From 1e0a1826da19b314dbc275e42f3ea9b3653e3c5c Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 08:17:26 +0200 Subject: [PATCH 69/92] [PEP8] In file tardis/io/atomic.py --- tardis/io/atomic.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index e15dbe1b418..5e87524dee7 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -425,8 +425,10 @@ def _init_indices(self): self.B_lus = {} for species in self.nlte_species: - lines_idx = np.where((self.lines.atomic_number == species[0]) & - (self.lines.ion_number == species[1])) + lines_idx = np.where( + (self.lines.atomic_number == species[0]) & + (self.lines.ion_number == species[1]) + ) self.lines_idx[species] = lines_idx self.lines_level_number_lower[species] = self.lines.level_number_lower.values[lines_idx].astype(int) self.lines_level_number_upper[species] = self.lines.level_number_upper.values[lines_idx].astype(int) From 9ff3bf02fe44cc9bd3fed197cf8f7eeb6f743e30 Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 14:23:30 +0200 Subject: [PATCH 70/92] Remove some pd.DataFrame.copy() As a result, there will be SettingWithCopy warnings but my tests showed they are not problematic. --- tardis/io/atomic.py | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index 5e87524dee7..f8ea76e215d 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -351,23 +351,24 @@ def prepare_atom_data( if max_ion_number is not None: self.macro_atom_references = self.macro_atom_references.loc[ self.macro_atom_references['ion_number'] <= max_ion_number - ].copy() + ] if line_interaction_type == 'downbranch': self.macro_atom_data = self.macro_atom_data.loc[ self.macro_atom_data['transition_type'] == -1 - ].copy() + ] self.macro_atom_references = self.macro_atom_references.loc[ self.macro_atom_references['count_down'] > 0 - ].copy() + ] self.macro_atom_references.loc[:, 'count_total'] = self.macro_atom_references['count_down'] self.macro_atom_references.loc[:, 'block_references'] = np.hstack( (0, np.cumsum(self.macro_atom_references['count_down'].values[:-1])) ) elif line_interaction_type == 'macroatom': - self.macro_atom_references.loc[:, 'block_references'] = np.hstack( - (0, np.cumsum(self.macro_atom_references['count_total'].values[:-1])) + self.macro_atom_references['block_references'] = ( + self.macro_atom_references['count_total'].cumsum() - + self.macro_atom_references['count_total'][0] ) self.macro_atom_references.loc[:, "references_idx"] = np.arange(len(self.macro_atom_references)) From 61f448467a5d4605ee890bae200c01480e5e9964 Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 14:38:46 +0200 Subject: [PATCH 71/92] Remove unused parameter 'max_ion_number' --- tardis/io/atomic.py | 23 +---------------------- 1 file changed, 1 insertion(+), 22 deletions(-) diff --git a/tardis/io/atomic.py b/tardis/io/atomic.py index f8ea76e215d..146b3bd2b98 100644 --- a/tardis/io/atomic.py +++ b/tardis/io/atomic.py @@ -257,7 +257,7 @@ def _check_related(self): def prepare_atom_data( self, selected_atomic_numbers, line_interaction_type='scatter', - max_ion_number=None, nlte_species=[]): + nlte_species=[]): """ Prepares the atom data to set the lines, levels and if requested macro atom data. This function mainly cuts the `levels` and `lines` by @@ -273,9 +273,6 @@ def prepare_atom_data( line_interaction_type : `~str` can be 'scatter', 'downbranch' or 'macroatom' - max_ion_number : `~int` - maximum ion number to be included in the calculation - """ if not self.prepared: self.prepared = True @@ -290,14 +287,6 @@ def prepare_atom_data( self.selected_atomic_numbers, level='atomic_number')] - if max_ion_number is not None: - self.levels = self.levels[ - self.levels.index.get_level_values('ion_number') <= max_ion_number - ] - self.lines = self.lines[ - self.lines.index.get_level_values('ion_number') <= max_ion_number - ] - self.levels_index = pd.Series( np.arange(len(self.levels), dtype=int), index=self.levels.index) @@ -337,22 +326,12 @@ def prepare_atom_data( self.macro_atom_data_all['atomic_number'].isin(self.selected_atomic_numbers) ] - if max_ion_number is not None: - self.macro_atom_data = self.macro_atom_data.loc[ - self.macro_atom_data['ion_number'] <= max_ion_number - ] - self.macro_atom_references = self.macro_atom_references_all[ self.macro_atom_references_all.index.isin( self.selected_atomic_numbers, level='atomic_number') ] - if max_ion_number is not None: - self.macro_atom_references = self.macro_atom_references.loc[ - self.macro_atom_references['ion_number'] <= max_ion_number - ] - if line_interaction_type == 'downbranch': self.macro_atom_data = self.macro_atom_data.loc[ self.macro_atom_data['transition_type'] == -1 From 5caba153bc4fb2e687ef0146f3e878af00f0646a Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 15:42:54 +0200 Subject: [PATCH 72/92] Change default AtomData UUID --- tardis/conftest.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 5cc215da2ae..1658f6f5704 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -59,7 +59,7 @@ except NameError: # Needed to support Astropy <= 1.0.0 pass -DEFAULT_UUID = '94af35cb55d22ec5020914ea9409a1cb' +DEFAULT_UUID = '6f7b09e887a311e7a06b246e96350010' # ------------------------------------------------------------------------- # Initialization From 6738a585c28dcbb4bbf6868dcc76b04df0072b7c Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 15:43:22 +0200 Subject: [PATCH 73/92] Fix a bug in _main_nlte_calculation --- tardis/plasma/properties/partition_function.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/plasma/properties/partition_function.py b/tardis/plasma/properties/partition_function.py index b7330bc828e..e7318e28f93 100644 --- a/tardis/plasma/properties/partition_function.py +++ b/tardis/plasma/properties/partition_function.py @@ -169,7 +169,7 @@ def _main_nlte_calculation( else: collision_matrix = nlte_data.get_collision_matrix( species, t_electrons - ) * previous_electron_densities + ) * previous_electron_densities.values else: collision_matrix = r_ul_matrix.copy() collision_matrix.fill(0.0) From 2853fc1b77e19f888abb00cf2173c2a50a362750 Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 15:43:36 +0200 Subject: [PATCH 74/92] Small changes to the plasma tests --- tardis/plasma/tests/test_complete_plasmas.py | 80 ++++++++++++-------- 1 file changed, 48 insertions(+), 32 deletions(-) diff --git a/tardis/plasma/tests/test_complete_plasmas.py b/tardis/plasma/tests/test_complete_plasmas.py index 7b8d3e1f7a2..a4b6536c8fa 100644 --- a/tardis/plasma/tests/test_complete_plasmas.py +++ b/tardis/plasma/tests/test_complete_plasmas.py @@ -54,21 +54,46 @@ {'helium_treatment': 'recomb-nlte', 'delta_treatment': 0.5} ] +config_list = ( + ionization + excitation + radiative_rates_type + + line_interaction_type + disable_electron_scattering + nlte + + initial_t_inner + initial_t_rad + helium_treatment) + + +def idfn(fixture_value): + return str('-'.join([ + '{}:{}'.format(k, v) for k, v in fixture_value.items()])) + class TestPlasma(object): - @pytest.fixture(scope="class") - def plasma(self, chianti_he_db_fpath, config, reference_fpath, reference): - config['atom_data'] = chianti_he_db_fpath - sim = Simulation.from_config(config) - if pytest.config.getvalue("--generate-reference"): - sim.plasma.to_hdf(reference_fpath, path=config.plasma.save_path) - pytest.skip("Reference data saved at {0}".format(reference_fpath)) - return sim.plasma + general_properties = ['beta_rad', 'g_electron', 'selected_atoms', + 'number_density', 't_electrons', 'w', 't_rad', 'beta_electron'] + partiton_properties = ['level_boltzmann_factor', 'partition_function'] + atomic_properties = ['excitation_energy', 'lines', 'lines_lower_level_index', + 'lines_upper_level_index', 'atomic_mass', 'ionization_data', + 'nu', 'wavelength_cm', 'f_lu', 'metastability'] + ion_population_properties = ['delta', 'previous_electron_densities', + 'phi', 'ion_number_density', 'electron_densities'] + level_population_properties = ['level_number_density'] + radiative_properties = ['stimulated_emission_factor', 'previous_beta_sobolev', + 'tau_sobolevs', 'beta_sobolev', 'transition_probabilities'] + j_blues_properties = ['j_blues', 'j_blues_norm_factor', 'j_blue_estimator'] + input_properties = ['volume', 'r_inner'] + helium_nlte_properties = ['helium_population', 'helium_population_updated'] + + combined_properties = ( + general_properties + partiton_properties + + atomic_properties + ion_population_properties + + level_population_properties + radiative_properties + + j_blues_properties + input_properties + helium_nlte_properties) + + scalars_properties = ['time_explosion', 'link_t_rad_t_electron'] @pytest.fixture(scope="class") - def chianti_he_db_fpath(self): - return os.path.abspath(os.path.join('tardis', 'tests', 'data', 'chianti_he_db.h5')) + def chianti_he_db_fpath(self, tardis_ref_path): + return os.path.abspath(os.path.join( + tardis_ref_path, 'atom_data', 'chianti_He.h5')) @pytest.fixture(scope="class") def reference_fpath(self, tardis_ref_path): @@ -80,9 +105,11 @@ def reference_fpath(self, tardis_ref_path): 'proceed generating new data'.format(path)) return path - @pytest.fixture(scope="class", params=ionization + excitation + radiative_rates_type + - line_interaction_type + disable_electron_scattering + - nlte + initial_t_inner + initial_t_rad + helium_treatment) + @pytest.fixture( + scope="class", + params=config_list, + ids=idfn + ) def config(self, request): config_path = os.path.join( 'tardis', 'plasma', 'tests', 'data', 'plasma_base_test_config.yml') @@ -106,24 +133,15 @@ def reference(self, reference_fpath): with pd.HDFStore(reference_fpath) as hdf_file: yield hdf_file - general_properties = ['beta_rad', 'g_electron', 'selected_atoms', - 'number_density', 't_electrons', 'w', 't_rad', 'beta_electron'] - partiton_properties = ['level_boltzmann_factor', 'partition_function'] - atomic_properties = ['excitation_energy', 'lines', 'lines_lower_level_index', - 'lines_upper_level_index', 'atomic_mass', 'ionization_data', - 'nu', 'wavelength_cm', 'f_lu', 'metastability'] - ion_population_properties = ['delta', 'previous_electron_densities', - 'phi', 'ion_number_density', 'electron_densities'] - level_population_properties = ['level_number_density'] - radiative_properties = ['stimulated_emission_factor', 'previous_beta_sobolev', - 'tau_sobolevs', 'beta_sobolev', 'transition_probabilities'] - j_blues_properties = ['j_blues', 'j_blues_norm_factor', 'j_blue_estimator'] - input_properties = ['volume', 'r_inner'] - helium_nlte_properties = ['helium_population', 'helium_population_updated'] + @pytest.fixture(scope="class") + def plasma(self, chianti_he_db_fpath, config, reference_fpath, reference): + config['atom_data'] = chianti_he_db_fpath + sim = Simulation.from_config(config) + if pytest.config.getvalue("--generate-reference"): + sim.plasma.to_hdf(reference_fpath, path=config.plasma.save_path) + pytest.skip("Reference data saved at {0}".format(reference_fpath)) + return sim.plasma - combined_properties = general_properties + partiton_properties + atomic_properties + \ - ion_population_properties + level_population_properties + radiative_properties + \ - j_blues_properties + input_properties + helium_nlte_properties @pytest.mark.parametrize("attr", combined_properties) def test_plasma_properties(self, plasma, reference, config, attr): @@ -143,8 +161,6 @@ def test_levels(self, plasma, reference, config): config.plasma.save_path, 'plasma', 'levels')) pdt.assert_almost_equal(actual, expected) - scalars_properties = ['time_explosion', 'link_t_rad_t_electron'] - @pytest.mark.parametrize("attr", scalars_properties) def test_scalars_properties(self, plasma, reference, config, attr): actual = getattr(plasma, attr) From e530118dfaaccdb3959d2722fb7b40336bb22a25 Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 16:27:43 +0200 Subject: [PATCH 75/92] fixup! Change default AtomData UUID --- tardis/conftest.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index 1658f6f5704..a7b7c546f06 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -59,7 +59,7 @@ except NameError: # Needed to support Astropy <= 1.0.0 pass -DEFAULT_UUID = '6f7b09e887a311e7a06b246e96350010' +DEFAULT_UUID = '864f1753714343c41f99cb065710cace' # ------------------------------------------------------------------------- # Initialization From 35312e8d32f2fca66f94a960cf87f91258de7a1d Mon Sep 17 00:00:00 2001 From: yeganer Date: Thu, 24 Aug 2017 16:27:52 +0200 Subject: [PATCH 76/92] Fix tests for io/atomic.py --- tardis/io/tests/test_atomic.py | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/tardis/io/tests/test_atomic.py b/tardis/io/tests/test_atomic.py index ae75758d73e..3d1b1080211 100644 --- a/tardis/io/tests/test_atomic.py +++ b/tardis/io/tests/test_atomic.py @@ -41,7 +41,6 @@ def test_atom_data_ionization_data(ionization_data): def test_atom_data_levels(levels): - levels = levels.set_index(['atomic_number', 'ion_number', 'level_number']) assert_quantity_allclose( u.Quantity(levels.at[(2, 0, 2), 'energy'], u.Unit('erg')).to(u.Unit('cm-1'), equivalencies=u.spectral()), 166277.542 * u.Unit('cm-1') @@ -49,8 +48,6 @@ def test_atom_data_levels(levels): def test_atom_data_lines(lines): - lines = lines.set_index(['atomic_number', 'ion_number', - 'level_number_lower', 'level_number_upper']) assert_quantity_allclose( lines.at[(2, 0, 0, 6), 'wavelength_cm'] * u.Unit('cm'), 584.335 * u.Unit('Angstrom') @@ -59,7 +56,7 @@ def test_atom_data_lines(lines): def test_atomic_reprepare(kurucz_atomic_data): kurucz_atomic_data.prepare_atom_data([14, 20]) - lines = kurucz_atomic_data.lines + lines = kurucz_atomic_data.lines.reset_index() assert lines['atomic_number'].isin([14, 20]).all() assert len(lines.loc[lines['atomic_number'] == 14]) > 0 assert len(lines.loc[lines['atomic_number'] == 20]) > 0 From a49c1239f0a5138416a6285f69b24899fa905ad9 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 10:51:47 +0200 Subject: [PATCH 77/92] Add 'tardis_ref_data' and 'generate_reference' fixtures Additionally: Internally rename 'tardis-refdata' config variable to 'tardis_refdata'. --- tardis/conftest.py | 42 +++++++++++++++++++++++++++++++++++++----- 1 file changed, 37 insertions(+), 5 deletions(-) diff --git a/tardis/conftest.py b/tardis/conftest.py index a7b7c546f06..1d42ff9d45e 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -14,6 +14,7 @@ from tardis.io.config_reader import Configuration from tardis.simulation import Simulation from copy import deepcopy +import pandas as pd ### # Astropy @@ -68,14 +69,14 @@ def pytest_addoption(parser): _pytest_add_option(parser) - parser.addoption("--tardis-refdata", dest='tardis-refdata', default=None, + parser.addoption("--tardis-refdata", default=None, help="Path to Tardis Reference Folder") parser.addoption("--integration-tests", dest="integration-tests", default=None, help="path to configuration file for integration tests") parser.addoption("--generate-reference", action="store_true", default=False, - help="execute integration test run to generate reference data") + help="generate reference data instead of testing") parser.addoption("--less-packets", action="store_true", default=False, help="Run integration tests with less packets.") @@ -85,15 +86,39 @@ def pytest_addoption(parser): # ------------------------------------------------------------------------- +@pytest.fixture(scope='session') +def generate_reference(): + option = pytest.config.getvalue("generate_reference") + if option is None: + return False + else: + return option + + @pytest.fixture(scope="session") def tardis_ref_path(): - tardis_ref_path = pytest.config.getvalue("tardis-refdata") + tardis_ref_path = pytest.config.getvalue("tardis_refdata") if tardis_ref_path is None: pytest.skip('--tardis-refdata was not specified') else: return os.path.expandvars(os.path.expanduser(tardis_ref_path)) +@pytest.yield_fixture(scope="session") +def tardis_ref_data(tardis_ref_path, generate_reference): + if generate_reference: + mode = 'a' + else: + mode = 'r' + with pd.HDFStore( + os.path.join( + tardis_ref_path, + 'unit_test_data.h5'), + mode=mode + ) as store: + yield store + + @pytest.fixture(scope="session") def atomic_data_fname(tardis_ref_path): atomic_data_fname = os.path.join( @@ -109,17 +134,21 @@ def atomic_data_fname(tardis_ref_path): @pytest.fixture(scope="session") def atomic_dataset(atomic_data_fname): atomic_data = AtomData.from_hdf(atomic_data_fname) - + if atomic_data.md5 != DEFAULT_UUID: - pytest.skip('Need default Kurucz atomic dataset (md5="{}"'.format(DEFAULT_UUID)) + pytest.skip( + 'Need default Kurucz atomic dataset (md5="{}"'.format( + DEFAULT_UUID)) else: return atomic_data + @pytest.fixture def kurucz_atomic_data(atomic_dataset): atomic_data = deepcopy(atomic_dataset) return atomic_data + @pytest.fixture def tardis_config_verysimple(): return yaml_load_config_file( @@ -129,11 +158,13 @@ def tardis_config_verysimple(): # HDF Fixtures ### + @pytest.fixture(scope="session") def hdf_file_path(tmpdir_factory): path = tmpdir_factory.mktemp('hdf_buffer').join('test.hdf') return str(path) + @pytest.fixture(scope="session") def config_verysimple(): filename = 'tardis_configv1_verysimple.yml' @@ -141,6 +172,7 @@ def config_verysimple(): config = Configuration.from_yaml(path) return config + @pytest.fixture(scope="session") def simulation_verysimple(config_verysimple, atomic_dataset): atomic_data = deepcopy(atomic_dataset) From 81ccd4e4e21ba3bf4a2270c5d6f8dfe720d88700 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 10:52:17 +0200 Subject: [PATCH 78/92] Rewrite tests_plasmas_full to use 'tardis-refdata' --- tardis/plasma/tests/test_plasmas_full.py | 96 ++++++++++-------------- 1 file changed, 40 insertions(+), 56 deletions(-) diff --git a/tardis/plasma/tests/test_plasmas_full.py b/tardis/plasma/tests/test_plasmas_full.py index a91762c60eb..e38931797b6 100644 --- a/tardis/plasma/tests/test_plasmas_full.py +++ b/tardis/plasma/tests/test_plasmas_full.py @@ -1,65 +1,49 @@ +from os.path import join as pathjoin import pytest -import numpy as np -import tardis -import numpy.testing as nptesting -from astropy import units as u -import os -import h5py + +import pandas as pd +import pandas.util.testing as pdt from tardis.simulation import Simulation -from tardis.io.util import yaml_load_config_file from tardis.io.config_reader import Configuration +config_files = { + 'lte': 'tardis/plasma/tests/data/plasma_test_config_lte.yml', + 'nlte': 'tardis/plasma/tests/data/plasma_test_config_nlte.yml', + } -def data_path(fname): - return os.path.join(tardis.__path__[0], 'plasma', 'tests', 'data', fname) - -@pytest.fixture() -def plasma_compare_data_fname(): - return data_path('plasma_test_data.h5') - -@pytest.fixture() -def plasma_compare_data(plasma_compare_data_fname): - return h5py.File(plasma_compare_data_fname, 'r') class TestPlasmas(): - @classmethod - @pytest.fixture(scope="class", autouse=True) - def setup(self, atomic_data_fname): - self.config_yaml = yaml_load_config_file( - 'tardis/plasma/tests/data/plasma_test_config_lte.yml') - self.config_yaml['atom_data'] = atomic_data_fname - conf = Configuration.from_config_dict(self.config_yaml) - self.lte_simulation = Simulation.from_config(conf) - self.lte_simulation.run() - self.config_yaml = yaml_load_config_file( - 'tardis/plasma/tests/data/plasma_test_config_nlte.yml') - self.config_yaml['atom_data'] = atomic_data_fname - conf = Configuration.from_config_dict(self.config_yaml) - self.nlte_simulation = Simulation.from_config(conf) - self.nlte_simulation.run() - - def test_lte_plasma(self, plasma_compare_data): - old_plasma_t_rads = plasma_compare_data['test_lte1/t_rad'] - old_plasma_levels = plasma_compare_data['test_lte1/levels'] - - new_plasma_t_rads = self.lte_simulation.model.t_rad / u.Unit('K') - new_plasma_levels = \ - self.lte_simulation.plasma.get_value( - 'level_number_density').ix[8].ix[1][10].values - np.testing.assert_allclose( - new_plasma_t_rads, old_plasma_t_rads, atol=100) - np.testing.assert_allclose( - new_plasma_levels, old_plasma_levels, rtol=0.1) - def test_nlte_plasma(self, plasma_compare_data): - old_plasma_t_rads = plasma_compare_data['test_nlte1/t_rad'] - old_plasma_levels = plasma_compare_data['test_nlte1/levels'] - new_plasma_t_rads = self.nlte_simulation.model.t_rad / u.Unit('K') - new_plasma_levels = \ - self.nlte_simulation.plasma.get_value( - 'level_number_density').ix[2].ix[1][10].values - np.testing.assert_allclose( - new_plasma_t_rads, old_plasma_t_rads, atol=150) - np.testing.assert_allclose( - new_plasma_levels, old_plasma_levels, rtol=0.1) + name = 'plasma_full/' + + @pytest.fixture( + scope="class", + params=config_files.items(), + ids=config_files.keys() + ) + def simulation(self, request, atomic_data_fname): + name = request.param[0] + config = Configuration.from_yaml(request.param[1]) + config['atom_data'] = atomic_data_fname + simulation = Simulation.from_config(config) + simulation.run() + simulation._test_name = name + return simulation + + def test_levels(self, simulation, tardis_ref_data): + name = simulation._test_name + new_levels = simulation.plasma.get_value('level_number_density') + + old_levels = tardis_ref_data[pathjoin(self.name, name, 'levels')] + pdt.assert_almost_equal( + new_levels, old_levels) + + def test_trads(self, simulation, tardis_ref_data): + name = simulation._test_name + + new_t_rads = pd.Series(simulation.model.t_rad.to('K').value) + + old_t_rads = tardis_ref_data[pathjoin(self.name, name, 't_rad')] + pdt.assert_almost_equal( + new_t_rads, old_t_rads) From 46155eee6f90ab4c822e00bd6e6229cd25470d17 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:29:31 +0200 Subject: [PATCH 79/92] [IO] Open HDFStore only once during to_hdf Also we only close if we opened the HDFStore --- tardis/io/util.py | 44 ++++++++++++++++++++++++++++++++++---------- 1 file changed, 34 insertions(+), 10 deletions(-) diff --git a/tardis/io/util.py b/tardis/io/util.py index 24520a2228b..6bdc3d5a388 100644 --- a/tardis/io/util.py +++ b/tardis/io/util.py @@ -195,6 +195,26 @@ def to_hdf_util(path_or_buf, path, elements, complevel=9, complib='blosc'): ------- """ + we_opened = False + + try: + buf = pd.HDFStore( + path_or_buf, + complevel=complevel, + complib=complib + ) + except TypeError as e: # Already a HDFStore + if e.message == 'Expected bytes, got HDFStore': + buf = path_or_buf + else: + raise e + else: # path_or_buf was a string and we opened the HDFStore + we_opened = True + + if not buf.is_open: + buf.open() + we_opened = True + scalars = {} for key, value in elements.iteritems(): if value is None: @@ -207,30 +227,34 @@ def to_hdf_util(path_or_buf, path, elements, complevel=9, complib='blosc'): if value.ndim == 1: # This try,except block is only for model.plasma.levels try: - pd.Series(value).to_hdf(path_or_buf, + pd.Series(value).to_hdf(buf, os.path.join(path, key)) except NotImplementedError: - pd.DataFrame(value).to_hdf(path_or_buf, + pd.DataFrame(value).to_hdf(buf, os.path.join(path, key)) else: pd.DataFrame(value).to_hdf( - path_or_buf, os.path.join(path, key)) + buf, os.path.join(path, key)) else: try: - value.to_hdf(path_or_buf, path, name=key) + value.to_hdf(buf, path, name=key) except AttributeError: data = pd.DataFrame([value]) - data.to_hdf(path_or_buf, os.path.join(path, key)) - + data.to_hdf(buf, os.path.join(path, key)) + if scalars: scalars_series = pd.Series(scalars) # Unfortunately, with to_hdf we cannot append, so merge beforehand scalars_path = os.path.join(path, 'scalars') - with pd.HDFStore(path_or_buf, complevel=complevel, complib=complib) as store: - if scalars_path in store: - scalars_series = store[scalars_path].append(scalars_series) - scalars_series.to_hdf(path_or_buf, os.path.join(path, 'scalars')) + try: + scalars_series = buf[scalars_path].append(scalars_series) + except KeyError: # no scalars in HDFStore + pass + scalars_series.to_hdf(buf, os.path.join(path, 'scalars')) + + if we_opened: + buf.close() def get_properties(self): data = {name: getattr(self, name) for name in self.hdf_properties} From 31186b257022931e715af458c5a0a46431a32b5f Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:30:42 +0200 Subject: [PATCH 80/92] Update tardis-refdata version to pull --- .travis.yml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/.travis.yml b/.travis.yml index 76f15b8f41a..eeec2a3bb99 100644 --- a/.travis.yml +++ b/.travis.yml @@ -72,10 +72,11 @@ before_install: - if [[ $TEST_MODE == 'spectrum' ]]; then git lfs install --skip-smudge; fi - if [[ $TEST_MODE == 'spectrum' ]]; then git clone $TARDIS_REF_DATA_URL $HOME/tardis-refdata; fi - if [[ $TEST_MODE == 'spectrum' ]]; then cd $HOME/tardis-refdata; fi - - if [[ $TEST_MODE == 'spectrum' ]]; then git fetch origin pull/2/head:plasma-ref2; fi - - if [[ $TEST_MODE == 'spectrum' ]]; then git checkout plasma-ref2; fi + - if [[ $TEST_MODE == 'spectrum' ]]; then git fetch origin pull/3/head:carsus-ref; fi + - if [[ $TEST_MODE == 'spectrum' ]]; then git checkout carsus-ref; fi - if [[ $TEST_MODE == 'spectrum' ]]; then git lfs pull --include="atom_data/kurucz_cd23_chianti_H_He.h5" origin; fi - if [[ $TEST_MODE == 'spectrum' ]]; then git lfs pull --include="plasma_reference/" origin; fi + - if [[ $TEST_MODE == 'spectrum' ]]; then git lfs pull --include="unit_test_data.h5" origin; fi - if [[ $TEST_MODE == 'spectrum' ]]; then cd $TRAVIS_BUILD_DIR; fi install: From 9b91d79c8b744f9f8aa74930533346a391c456a3 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:31:03 +0200 Subject: [PATCH 81/92] Rewrite test_tardis_full --- tardis/tests/test_tardis_full.py | 125 +++++++++++++++++-------------- 1 file changed, 67 insertions(+), 58 deletions(-) diff --git a/tardis/tests/test_tardis_full.py b/tardis/tests/test_tardis_full.py index 7fd44de8dee..682e4645728 100644 --- a/tardis/tests/test_tardis_full.py +++ b/tardis/tests/test_tardis_full.py @@ -1,69 +1,76 @@ +import os import pytest import numpy as np -import tardis -import numpy.testing as nptesting +import numpy.testing as npt from astropy import units as u -import os +from astropy.tests.helper import assert_quantity_allclose -from tardis.io.util import yaml_load_config_file from tardis.simulation.base import Simulation from tardis.io.config_reader import Configuration - -def data_path(fname): - return os.path.join(tardis.__path__[0], 'tests', 'data', fname) - -class TestSimpleRun(): +class TestRunnerSimple(): """ Very simple run """ - - @classmethod - @pytest.fixture(scope="class", autouse=True) - def setup(self, atomic_data_fname): - self.config_yaml = yaml_load_config_file( - 'tardis/io/tests/data/tardis_configv1_verysimple.yml') - self.config_yaml['atom_data'] = atomic_data_fname - - tardis_config = Configuration.from_config_dict(self.config_yaml) - self.simulation = Simulation.from_config(tardis_config) - self.simulation.run() - - def test_j_blue_estimators(self): - j_blue_estimator = np.load( - data_path('simple_test_j_blue_estimator.npy')) - - np.testing.assert_allclose(self.simulation.runner.j_blue_estimator, - j_blue_estimator) - - def test_spectrum(self): - luminosity_density = np.load( - data_path('simple_test_luminosity_density_lambda.npy')) - - luminosity_density = luminosity_density * u.Unit( - 'erg / (Angstrom s)') - - np.testing.assert_allclose( - self.simulation.runner.spectrum.luminosity_density_lambda, - luminosity_density) - - def test_virtual_spectrum(self): - virtual_luminosity_density = np.load( - data_path('simple_test_virtual_luminosity_density_lambda.npy')) - - virtual_luminosity_density = virtual_luminosity_density * u.Unit( - 'erg / (Angstrom s)') - - np.testing.assert_allclose( - self.simulation.runner.spectrum_virtual.luminosity_density_lambda, - virtual_luminosity_density) - - def test_plasma_properties(self): - - pass - - def test_runner_properties(self): + name = 'test_runner_simple' + + @pytest.fixture(scope="class") + def runner( + self, atomic_data_fname, + tardis_ref_data, generate_reference): + config = Configuration.from_yaml( + 'tardis/io/tests/data/tardis_configv1_verysimple.yml') + config['atom_data'] = atomic_data_fname + + simulation = Simulation.from_config(config) + simulation.run() + + if not generate_reference: + return simulation.runner + else: + simulation.runner.hdf_properties = [ + 'j_blue_estimator', + 'spectrum', + 'spectrum_virtual' + ] + simulation.runner.to_hdf( + tardis_ref_data, + '', + self.name) + pytest.skip( + 'Reference data was generated during this run.') + + @pytest.fixture(scope='class') + def refdata(self, tardis_ref_data): + def get_ref_data(key): + return tardis_ref_data[os.path.join( + self.name, key)] + return get_ref_data + + def test_j_blue_estimators(self, runner, refdata): + j_blue_estimator = refdata('j_blue_estimator').values + + npt.assert_allclose( + runner.j_blue_estimator, + j_blue_estimator) + + def test_spectrum(self, runner, refdata): + luminosity = u.Quantity(refdata('spectrum/luminosity'), 'erg /s') + + assert_quantity_allclose( + runner.spectrum.luminosity, + luminosity) + + def test_virtual_spectrum(self, runner, refdata): + luminosity = u.Quantity( + refdata('spectrum_virtual/luminosity'), 'erg /s') + + assert_quantity_allclose( + runner.spectrum_virtual.luminosity, + luminosity) + + def test_runner_properties(self, runner): """Tests whether a number of runner attributes exist and also verifies their types @@ -74,7 +81,6 @@ def test_runner_properties(self): virt_type = np.ndarray - props_required_by_modeltohdf5 = dict([ ("virt_packet_last_interaction_type", virt_type), ("virt_packet_last_line_interaction_in_id", virt_type), @@ -87,5 +93,8 @@ def test_runner_properties(self): required_props = props_required_by_modeltohdf5.copy() for prop, prop_type in required_props.items(): - - assert type(getattr(self.simulation.runner, prop)) == prop_type, ("wrong type of attribute '{}': expected {}, found {}".format(prop, prop_type, type(getattr(self.simulation.runner, prop)))) + actual = getattr(runner, prop) + assert type(actual) == prop_type, ( + "wrong type of attribute '{}':" + "expected {}, found {}".format( + prop, prop_type, type(actual))) From 6dce3dfdec6afc46dfb2c4e9ebf18c6ca56db686 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:31:28 +0200 Subject: [PATCH 82/92] Rewrite test_simulation --- tardis/simulation/tests/test_simulation.py | 142 +++++++++++---------- 1 file changed, 78 insertions(+), 64 deletions(-) diff --git a/tardis/simulation/tests/test_simulation.py b/tardis/simulation/tests/test_simulation.py index 5229c35f030..10d8bbf9c72 100644 --- a/tardis/simulation/tests/test_simulation.py +++ b/tardis/simulation/tests/test_simulation.py @@ -1,69 +1,83 @@ -import numpy.testing as npt +import os -import h5py import pytest from tardis.io.config_reader import Configuration -from tardis.model import Radial1DModel -from tardis.plasma.standard_plasmas import assemble_plasma from tardis.simulation import Simulation -from astropy import units as u -from astropy.tests.helper import assert_quantity_allclose -@pytest.fixture -def tardis_config(tardis_config_verysimple): - return Configuration.from_config_dict(tardis_config_verysimple) - - -@pytest.fixture() -def raw_model(tardis_config): - return Radial1DModel.from_config(tardis_config) - - -@pytest.fixture() -def raw_plasma(tardis_config, raw_model, kurucz_atomic_data): - return assemble_plasma(tardis_config, raw_model, kurucz_atomic_data) - - -@pytest.fixture() -def simulation_one_loop(raw_model, raw_plasma, tardis_config): - sim = Simulation.from_config(tardis_config, model=raw_model, - plasma=raw_plasma) - sim.iterate(40000) - - return sim - - -@pytest.fixture() -def simulation_compare_data_fname(): - return 'tardis/simulation/tests/data/test_data.h5' - - -@pytest.fixture() -def simulation_compare_data(simulation_compare_data_fname): - return h5py.File(simulation_compare_data_fname, mode='r') - - -def test_plasma_estimates(simulation_one_loop, simulation_compare_data): - t_rad, w = simulation_one_loop.runner.calculate_radiationfield_properties() - - npt.assert_allclose(simulation_one_loop.runner.nu_bar_estimator, - simulation_compare_data['test1/nubar_estimators'], - atol=0.0) - npt.assert_allclose(simulation_one_loop.runner.j_estimator, - simulation_compare_data['test1/j_estimators'], - atol=0.0) - - assert_quantity_allclose( - t_rad, simulation_compare_data['test1/t_rad'] * u.Unit('K'), atol=0.0 * u.Unit('K')) - npt.assert_allclose(w, simulation_compare_data['test1/w'], atol=0.0) - - -def test_packet_output(simulation_one_loop, simulation_compare_data): - assert_quantity_allclose( - simulation_one_loop.runner.output_nu, - simulation_compare_data['test1/output_nu'] * u.Unit('Hz'), - atol=0.0 * u.Unit('Hz')) - - assert_quantity_allclose(simulation_one_loop.runner.output_energy, - simulation_compare_data['test1/output_energy'] * u.Unit('erg'), - atol=0.0 * u.Unit('erg')) +import pandas as pd +import pandas.util.testing as pdt + + +@pytest.fixture(scope='module') +def refdata(tardis_ref_data): + def get_ref_data(key): + return tardis_ref_data[os.path.join( + 'test_simulation', key)] + return get_ref_data + + +@pytest.fixture(scope='module') +def config(): + return Configuration.from_yaml( + 'tardis/io/tests/data/tardis_configv1_verysimple.yml') + + +@pytest.fixture(scope='module') +def simulation_one_loop( + atomic_data_fname, config, + tardis_ref_data, generate_reference): + config.atom_data = atomic_data_fname + config.montecarlo.iterations = 2 + config.montecarlo.no_of_packets = int(4e4) + config.montecarlo.last_no_of_packets = int(4e4) + + simulation = Simulation.from_config(config) + simulation.run() + + if not generate_reference: + return simulation + else: + simulation.model.hdf_properties = [ + 't_radiative', + 'dilution_factor' + ] + simulation.runner.hdf_properties = [ + 'j_estimator', + 'nu_bar_estimator', + 'output_nu', + 'output_energy' + ] + simulation.model.to_hdf( + tardis_ref_data, + '', + 'test_simulation') + simulation.runner.to_hdf( + tardis_ref_data, + '', + 'test_simulation') + pytest.skip( + 'Reference data was generated during this run.') + + +@pytest.mark.parametrize('name', [ + 'nu_bar_estimator', 'j_estimator', 't_radiative', 'dilution_factor', + 'output_nu', 'output_energy' + ]) +def test_plasma_estimates( + simulation_one_loop, refdata, name): + try: + actual = getattr( + simulation_one_loop.runner, name) + except AttributeError: + actual = getattr( + simulation_one_loop.model, name) + + actual = pd.Series(actual) + + pdt.assert_almost_equal( + actual, + refdata(name) + ) + +# assert_quantity_allclose( +# t_rad, simulation_compare_data['test1/t_rad'] * u.Unit('K'), atol=0.0 * u.Unit('K')) From 0fb77efbd30f4913999f4de0abf330fb16cbde14 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:31:53 +0200 Subject: [PATCH 83/92] Rewrite test_plasmas_full --- tardis/plasma/tests/test_plasmas_full.py | 46 ++++++++++++++++++------ 1 file changed, 36 insertions(+), 10 deletions(-) diff --git a/tardis/plasma/tests/test_plasmas_full.py b/tardis/plasma/tests/test_plasmas_full.py index e38931797b6..ff126b877f7 100644 --- a/tardis/plasma/tests/test_plasmas_full.py +++ b/tardis/plasma/tests/test_plasmas_full.py @@ -1,4 +1,4 @@ -from os.path import join as pathjoin +import os import pytest import pandas as pd @@ -17,33 +17,59 @@ class TestPlasmas(): name = 'plasma_full/' + @pytest.fixture(scope='class') + def refdata(self, tardis_ref_data): + def get_ref_data(key): + return tardis_ref_data[os.path.join( + self.name, self._test_name, key)] + return get_ref_data + @pytest.fixture( scope="class", params=config_files.items(), ids=config_files.keys() ) - def simulation(self, request, atomic_data_fname): + def simulation( + self, request, atomic_data_fname, + generate_reference, tardis_ref_data): name = request.param[0] config = Configuration.from_yaml(request.param[1]) config['atom_data'] = atomic_data_fname simulation = Simulation.from_config(config) simulation.run() - simulation._test_name = name + self._test_name = name + + if not generate_reference: + return simulation + else: + simulation.plasma.hdf_properties = [ + 'level_number_density', + ] + simulation.model.hdf_properties = [ + 't_radiative' + ] + simulation.plasma.to_hdf( + tardis_ref_data, + self.name, + self._test_name) + simulation.model.to_hdf( + tardis_ref_data, + self.name, + self._test_name) + pytest.skip( + 'Reference data was generated during this run.') return simulation - def test_levels(self, simulation, tardis_ref_data): - name = simulation._test_name + def test_levels(self, simulation, refdata): new_levels = simulation.plasma.get_value('level_number_density') - old_levels = tardis_ref_data[pathjoin(self.name, name, 'levels')] + old_levels = refdata('level_number_density') pdt.assert_almost_equal( new_levels, old_levels) - def test_trads(self, simulation, tardis_ref_data): - name = simulation._test_name - + def test_trads(self, simulation, refdata): new_t_rads = pd.Series(simulation.model.t_rad.to('K').value) - old_t_rads = tardis_ref_data[pathjoin(self.name, name, 't_rad')] + old_t_rads = refdata('t_radiative') pdt.assert_almost_equal( new_t_rads, old_t_rads) From c0e034d129baef25b549f4a5aa6e92ce480854a4 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:32:35 +0200 Subject: [PATCH 84/92] Add warning to test_complete_plasmas This should show up if any property is not found during testing --- tardis/plasma/tests/test_complete_plasmas.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/tardis/plasma/tests/test_complete_plasmas.py b/tardis/plasma/tests/test_complete_plasmas.py index a4b6536c8fa..c5e497973db 100644 --- a/tardis/plasma/tests/test_complete_plasmas.py +++ b/tardis/plasma/tests/test_complete_plasmas.py @@ -1,4 +1,5 @@ import os +import warnings import pandas as pd import pytest @@ -142,7 +143,6 @@ def plasma(self, chianti_he_db_fpath, config, reference_fpath, reference): pytest.skip("Reference data saved at {0}".format(reference_fpath)) return sim.plasma - @pytest.mark.parametrize("attr", combined_properties) def test_plasma_properties(self, plasma, reference, config, attr): if hasattr(plasma, attr): @@ -154,6 +154,8 @@ def test_plasma_properties(self, plasma, reference, config, attr): expected = reference.select(os.path.join( config.plasma.save_path, 'plasma', attr)) pdt.assert_almost_equal(actual, expected) + else: + warnings.warn('Property "{}" not found'.format(attr)) def test_levels(self, plasma, reference, config): actual = pd.DataFrame(plasma.levels) From acd4385458c34949e96fd0eed9b20d198bce3b05 Mon Sep 17 00:00:00 2001 From: yeganer Date: Fri, 25 Aug 2017 16:51:16 +0200 Subject: [PATCH 85/92] Remove old reference files --- tardis/plasma/tests/data/plasma_test_data.h5 | Bin 8384 -> 0 bytes tardis/simulation/tests/data/test_data.h5 | Bin 326528 -> 0 bytes tardis/tests/data/He_nlte_pops.h5 | Bin 12136 -> 0 bytes tardis/tests/data/chianti_he_db.h5 | Bin 2291112 -> 0 bytes .../data/simple_test_j_blue_estimator.npy | Bin 4675920 -> 0 bytes .../simple_test_luminosity_density_lambda.npy | Bin 80080 -> 0 bytes ...test_virtual_luminosity_density_lambda.npy | Bin 80080 -> 0 bytes 7 files changed, 0 insertions(+), 0 deletions(-) delete mode 100644 tardis/plasma/tests/data/plasma_test_data.h5 delete mode 100644 tardis/simulation/tests/data/test_data.h5 delete mode 100644 tardis/tests/data/He_nlte_pops.h5 delete mode 100644 tardis/tests/data/chianti_he_db.h5 delete mode 100644 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