shorten pymatgen.core imports

crystal_toolkit/apps/examples/basic_hello_structure.py

@@ -2,10 +2,7 @@
 
 import dash
 from dash import html
-
-# create our crystal structure using pymatgen
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 from crystal_toolkit.settings import SETTINGS

crystal_toolkit/apps/examples/basic_hello_structure_interactive.py

@@ -5,8 +5,7 @@
 
 # standard Dash imports for callbacks (interactivity)
 from dash.dependencies import Input, Output
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 

crystal_toolkit/apps/examples/diffraction.py

@@ -1,10 +1,7 @@
 from __future__ import annotations
 
 import dash
-
-# create our crystal structure using pymatgen
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 from crystal_toolkit.helpers.layouts import H1, H3, Container

crystal_toolkit/apps/examples/diffraction_dynamic.py

@@ -2,8 +2,7 @@
 
 import dash
 from dash.dependencies import Input, Output
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 from crystal_toolkit.helpers.layouts import H1, Button, Container

crystal_toolkit/apps/examples/diffraction_tem.py

@@ -3,8 +3,7 @@
 import dash
 
 # create our crystal structure using pymatgen
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 from crystal_toolkit.helpers.layouts import H1, H3, Container

crystal_toolkit/apps/examples/structure.py

@@ -2,8 +2,7 @@
 
 import dash
 from dash import html
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 from crystal_toolkit.settings import SETTINGS

crystal_toolkit/apps/examples/structure_magnetic.py

@@ -2,8 +2,7 @@
 
 import dash
 from dash import html
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 import crystal_toolkit.components as ctc
 from crystal_toolkit.settings import SETTINGS

crystal_toolkit/apps/examples/transformations.py

@@ -4,8 +4,7 @@
 from dash import html
 from dash.dependencies import Input, Output
 from dash_mp_components import JsonView
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 from pymatgen.ext.matproj import MPRester
 
 import crystal_toolkit.components as ctc

crystal_toolkit/apps/examples/transformations_minimal.py

@@ -4,8 +4,7 @@
 from dash import dcc, html
 from dash.dependencies import Input, Output
 from dash_mp_components import JsonView
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 from pymatgen.ext.matproj import MPRester
 
 import crystal_toolkit.components as ctc

crystal_toolkit/components/bandstructure.py

@@ -7,7 +7,7 @@
 from dash.dependencies import Component, Input, Output
 from dash.exceptions import PreventUpdate
 from dash_mp_components import CrystalToolkitScene
-from pymatgen.core.periodic_table import Element
+from pymatgen.core import Element
 from pymatgen.electronic_structure.bandstructure import (
     BandStructure,
     BandStructureSymmLine,

crystal_toolkit/components/localenv.py

@@ -22,7 +22,7 @@
 )
 from pymatgen.analysis.graphs import MoleculeGraph, StructureGraph
 from pymatgen.analysis.local_env import LocalStructOrderParams, cn_opt_params
-from pymatgen.core.structure import Molecule, Structure
+from pymatgen.core import Molecule, Structure
 from pymatgen.ext.matproj import MPRester
 from pymatgen.io.ase import AseAtomsAdaptor
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer

crystal_toolkit/components/phase_diagram.py

@@ -6,7 +6,7 @@
 from dash.dependencies import Component, Input, Output, State
 from dash.exceptions import PreventUpdate
 from pymatgen.analysis.phase_diagram import PDEntry, PDPlotter, PhaseDiagram
-from pymatgen.core.composition import Composition
+from pymatgen.core import Composition
 from pymatgen.ext.matproj import MPRester
 
 from crystal_toolkit.core.mpcomponent import MPComponent

crystal_toolkit/components/structure.py

@@ -16,9 +16,8 @@
 from emmet.core.settings import EmmetSettings
 from pymatgen.analysis.graphs import MoleculeGraph, StructureGraph
 from pymatgen.analysis.local_env import NearNeighbors
-from pymatgen.core.composition import Composition
+from pymatgen.core import Composition, Molecule, Structure
 from pymatgen.core.periodic_table import DummySpecie
-from pymatgen.core.structure import Molecule, Structure
 from pymatgen.io.vasp.sets import MPRelaxSet
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 

crystal_toolkit/components/submit_snl.py

@@ -7,7 +7,7 @@
 from dash.dependencies import Input, Output, State
 from dash.exceptions import PreventUpdate
 from mp_api.client import MPRester
-from pymatgen.core.structure import Structure
+from pymatgen.core import Structure
 from pymatgen.util.provenance import StructureNL
 
 from crystal_toolkit import __version__ as ct_version

crystal_toolkit/components/symmetry.py

@@ -5,7 +5,7 @@
 import numpy as np
 from dash import callback_context, html
 from dash.dependencies import Input, Output
-from pymatgen.core.structure import Structure
+from pymatgen.core import Structure
 from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 from pymatgen.util.string import unicodeify_spacegroup, unicodeify_species
 

crystal_toolkit/components/upload.py

@@ -7,7 +7,7 @@
 from dash.dependencies import Component, Input, Output
 from dash.exceptions import PreventUpdate
 from monty.serialization import loadfn
-from pymatgen.core.structure import Molecule, Structure
+from pymatgen.core import Molecule, Structure
 from pymatgen.io.vasp.outputs import Chgcar
 
 from crystal_toolkit.core.mpcomponent import MPComponent

crystal_toolkit/core/legend.py

@@ -12,8 +12,8 @@
 from monty.serialization import loadfn
 from palettable.colorbrewer.qualitative import Set1_9
 from pymatgen.analysis.molecule_structure_comparator import CovalentRadius
-from pymatgen.core.periodic_table import Element, Species
-from pymatgen.core.structure import Molecule, Site, SiteCollection
+from pymatgen.core import Element, Molecule, Site, Species
+from pymatgen.core.structure import SiteCollection
 from pymatgen.util.string import unicodeify_species
 from sklearn.preprocessing import LabelEncoder
 from webcolors import html5_parse_legacy_color, html5_serialize_simple_color
@@ -112,7 +112,7 @@ def __init__(
                     if p is not None
                 ]
             )
-            prop_max = max(abs(min(props)), max(props))
+            prop_max = max(abs(min(props)), props)
             prop_min = -prop_max
             cmap_range = (prop_min, prop_max)
 

crystal_toolkit/core/tests/test_legend.py

@@ -1,7 +1,6 @@
 from __future__ import annotations
 
-from pymatgen.core.lattice import Lattice
-from pymatgen.core.structure import Structure
+from pymatgen.core import Lattice, Structure
 
 from crystal_toolkit.core.legend import Legend
 

crystal_toolkit/helpers/asymptote_renderer.py

@@ -15,7 +15,7 @@
 
 from jinja2 import Environment
 from pymatgen.analysis.graphs import StructureGraph
-from pymatgen.core.structure import Structure
+from pymatgen.core import Structure
 
 from crystal_toolkit.core.scene import Scene
 from crystal_toolkit.defaults import _DEFAULTS

crystal_toolkit/renderables/lattice.py

@@ -3,7 +3,7 @@
 from typing import Any, Sequence
 
 import numpy as np
-from pymatgen.core.lattice import Lattice
+from pymatgen.core import Lattice
 
 from crystal_toolkit.core.scene import Arrows, Lines, Scene, Spheres
 

crystal_toolkit/renderables/molecule.py

@@ -2,7 +2,7 @@
 
 from collections import defaultdict
 
-from pymatgen.core.structure import Molecule
+from pymatgen.core import Molecule
 
 from crystal_toolkit.core.legend import Legend
 from crystal_toolkit.core.scene import Scene

crystal_toolkit/renderables/site.py

@@ -5,8 +5,8 @@
 
 import numpy as np
 from pymatgen.analysis.graphs import ConnectedSite
+from pymatgen.core import Site
 from pymatgen.core.periodic_table import DummySpecie
-from pymatgen.core.sites import Site
 from pymatgen.electronic_structure.core import Magmom
 from scipy.spatial.qhull import Delaunay
 

crystal_toolkit/renderables/structure.py

@@ -5,8 +5,7 @@
 from typing import Sequence
 
 import numpy as np
-from pymatgen.core.sites import PeriodicSite
-from pymatgen.core.structure import Structure
+from pymatgen.core import PeriodicSite, Structure
 
 from crystal_toolkit.core.legend import Legend
 from crystal_toolkit.core.scene import Scene

crystal_toolkit/renderables/structuregraph.py

@@ -7,7 +7,7 @@
 import numpy as np
 from matplotlib.cm import get_cmap
 from pymatgen.analysis.graphs import StructureGraph
-from pymatgen.core.sites import PeriodicSite
+from pymatgen.core import PeriodicSite
 
 from crystal_toolkit.core.legend import Legend
 from crystal_toolkit.core.scene import Scene