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Commit 5c9fc8d4 authored by Gerardo Tauriello's avatar Gerardo Tauriello
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Doc update: renamed MC test script to fit into new module.

parent c1d3e8ca
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......@@ -28,7 +28,6 @@ set (DOC_TEST_SCRIPTS
scripts/loop_main.py
scripts/loop_backbone.py
scripts/loop_monte_carlo.py
scripts/loop_structure_db.py
scripts/loop_frag_db.py
scripts/loop_fragger.py
......@@ -43,6 +42,7 @@ set (DOC_TEST_SCRIPTS
scripts/modelling_fill_loops_by_database.py
scripts/modelling_fill_loops_by_monte_carlo.py
scripts/modelling_model_termini.py
scripts/modelling_monte_carlo.py
scripts/modelling_loop_candidates.py
scripts/sidechain_reconstruct.py
......
......@@ -203,14 +203,6 @@ class DocTests(unittest.TestCase):
# clean up
os.remove('randomized_fragment.pdb')
def testLoopMonteCarlo(self):
# run it
self.checkPMRun('loop_monte_carlo.py', [], 0)
# check that result exists and is readable
io.LoadPDB('sampled_frag.pdb')
# clean up
os.remove('sampled_frag.pdb')
def testLoopStructureDB(self):
# check binaries
binaries_found = True
......@@ -333,6 +325,14 @@ class DocTests(unittest.TestCase):
'Number of gaps before: 2\n' +
'Number of gaps after: 0')
def testModellingMonteCarlo(self):
# run it
self.checkPMRun('modelling_monte_carlo.py', [], 0)
# check that result exists and is readable
io.LoadPDB('sampled_frag.pdb')
# clean up
os.remove('sampled_frag.pdb')
def testModellingLoopCandidates(self):
# run it
self.checkPMRun('modelling_loop_candidates.py', [], 0)
......
......@@ -19,7 +19,7 @@ pipelines. This combination either happens manually or by using the convenient
:func:`SampleMonteCarlo` function. For example, here we show how to apply Monte
Carlo sampling to the N-terminal part of crambin:
.. literalinclude:: ../../../tests/doc/scripts/loop_monte_carlo.py
.. literalinclude:: ../../../tests/doc/scripts/modelling_monte_carlo.py
.. method:: SampleMonteCarlo(sampler, closer, scorer, cooler, steps,\
bb_list, initialize=true, seed=0,\
......
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