add new worker tests

osprey/cli/parser_skeleton.py

@@ -2,6 +2,8 @@
 from argparse import ArgumentDefaultsHelpFormatter
 
 
+from ..execute_skeleton import TEMPLATES
+
 def func(args, parser):
     # delay import of the rest of the module to improve `osprey -h` performance
     from ..execute_skeleton import execute
@@ -15,7 +17,7 @@ def configure_parser(sub_parsers):
     p.add_argument('-t', '--template', help=(
         "which skeleton to create. 'msmbuilder' is a skeleton config file for"
         "MSMBuilder molecular dynamics / Markov state model based "
-        "projects."), choices=['msmbuilder', 'sklearn'], default='msmbuilder',)
+        "projects."), choices=TEMPLATES.keys(), default='msmbuilder')
     p.add_argument('-f', '--filename', help='config filename to create',
                    default='config.yaml')
     p.set_defaults(func=func)

osprey/execute_skeleton.py

@@ -3,14 +3,17 @@
 from os.path import join, exists
 from pkg_resources import resource_filename
 
+TEMPLATES = {'msmbuilder': 'msmbuilder_skeleton_config.yaml',
+             'sklearn': 'sklearn_skeleton_config.yaml',
+             'random_example': 'random_example.yaml',
+             'gp_example': 'sklearn_skeleton_config.yaml',
+             'grid_example': 'grid_example.yaml'}
+
 
 def execute(args, parser):
-    if args.template == 'msmbuilder':
-        fn = resource_filename('osprey', join('data',
-                               'msmbuilder_skeleton_config.yaml'))
-    elif args.template == 'sklearn':
-        fn = resource_filename('osprey', join('data',
-                               'sklearn_skeleton_config.yaml'))
+    template_file = TEMPLATES.get(args.template, None)
+    if template_file:
+        fn = resource_filename('osprey', join('data', template_file))
     else:
         raise RuntimeError('unknown template: %s' % args.template)
 

osprey/tests/test_cli_worker_and_dump.py

@@ -1,10 +1,12 @@
 from __future__ import print_function, absolute_import, division
 import os
+import os.path
 import sys
 import json
 import shutil
 import subprocess
 import tempfile
+from shutil import copyfile
 from distutils.spawn import find_executable
 from numpy.testing.decorators import skipif
 
@@ -18,7 +20,7 @@
 
 
 @skipif(not HAVE_MSMBUILDER, 'this test requires MSMBuilder')
-def test_1():
+def test_msmbuilder_skeleton():
     from msmbuilder.example_datasets import FsPeptide
     assert OSPREY_BIN is not None
     cwd = os.path.abspath(os.curdir)
@@ -41,7 +43,7 @@ def test_1():
         shutil.rmtree(dirname)
 
 
-def test_2():
+def test_sklearn_skeleton():
     assert OSPREY_BIN is not None
     cwd = os.path.abspath(os.curdir)
     dirname = tempfile.mkdtemp()
@@ -64,6 +66,75 @@ def test_2():
         shutil.rmtree(dirname)
 
 
+def test_random_example():
+    assert OSPREY_BIN is not None
+    cwd = os.path.abspath(os.curdir)
+    dirname = tempfile.mkdtemp()
+
+    try:
+        os.chdir(dirname)
+        subprocess.check_call([OSPREY_BIN, 'skeleton', '-t', 'random_example',
+                              '-f', 'config.yaml'])
+        subprocess.check_call([OSPREY_BIN, 'worker', 'config.yaml', '-n', '1'])
+        assert os.path.exists('osprey-trials.db')
+
+        subprocess.check_call([OSPREY_BIN, 'current_best', 'config.yaml'])
+
+        yield _test_dump_1
+
+        yield _test_plot_1
+
+    finally:
+        os.chdir(cwd)
+        shutil.rmtree(dirname)
+
+
+def test_gp_example():
+    assert OSPREY_BIN is not None
+    cwd = os.path.abspath(os.curdir)
+    dirname = tempfile.mkdtemp()
+
+    try:
+        os.chdir(dirname)
+        subprocess.check_call([OSPREY_BIN, 'skeleton', '-t', 'gp_example',
+                              '-f', 'config.yaml'])
+        subprocess.check_call([OSPREY_BIN, 'worker', 'config.yaml', '-n', '1'])
+        assert os.path.exists('osprey-trials.db')
+
+        subprocess.check_call([OSPREY_BIN, 'current_best', 'config.yaml'])
+
+        yield _test_dump_1
+
+        yield _test_plot_1
+
+    finally:
+        os.chdir(cwd)
+        shutil.rmtree(dirname)
+
+
+def test_grid_example():
+    assert OSPREY_BIN is not None
+    cwd = os.path.abspath(os.curdir)
+    dirname = tempfile.mkdtemp()
+
+    try:
+        os.chdir(dirname)
+        subprocess.check_call([OSPREY_BIN, 'skeleton', '-t', 'grid_example',
+                              '-f', 'config.yaml'])
+        subprocess.check_call([OSPREY_BIN, 'worker', 'config.yaml', '-n', '1'])
+        assert os.path.exists('osprey-trials.db')
+
+        subprocess.check_call([OSPREY_BIN, 'current_best', 'config.yaml'])
+
+        yield _test_dump_1
+
+        yield _test_plot_1
+
+    finally:
+        os.chdir(cwd)
+        shutil.rmtree(dirname)
+
+
 def _test_dump_1():
     out = subprocess.check_output(
         [OSPREY_BIN, 'dump', 'config.yaml', '-o', 'json'])