From 5c9fc8d4e2441fc771f1a7a81978d57c337a8051 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Mon, 22 Aug 2016 17:11:43 +0200
Subject: [PATCH] Doc update: renamed MC test script to fit into new module.
---
doc/tests/CMakeLists.txt | 2 +-
...p_monte_carlo.py => modelling_monte_carlo.py} | 0
doc/tests/test_doctests.py | 16 ++++++++--------
modelling/doc/monte_carlo.rst | 2 +-
4 files changed, 10 insertions(+), 10 deletions(-)
rename doc/tests/scripts/{loop_monte_carlo.py => modelling_monte_carlo.py} (100%)
diff --git a/doc/tests/CMakeLists.txt b/doc/tests/CMakeLists.txt
index e520f1a6..25154b37 100644
--- a/doc/tests/CMakeLists.txt
+++ b/doc/tests/CMakeLists.txt
@@ -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
diff --git a/doc/tests/scripts/loop_monte_carlo.py b/doc/tests/scripts/modelling_monte_carlo.py
similarity index 100%
rename from doc/tests/scripts/loop_monte_carlo.py
rename to doc/tests/scripts/modelling_monte_carlo.py
diff --git a/doc/tests/test_doctests.py b/doc/tests/test_doctests.py
index 167739f9..31a1b93f 100644
--- a/doc/tests/test_doctests.py
+++ b/doc/tests/test_doctests.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)
diff --git a/modelling/doc/monte_carlo.rst b/modelling/doc/monte_carlo.rst
index cf5559b9..a7a37b91 100644
--- a/modelling/doc/monte_carlo.rst
+++ b/modelling/doc/monte_carlo.rst
@@ -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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