Commit 6c7a379d authored by Fabrice  ALLAIN's avatar Fabrice ALLAIN

Updated violation analysis if clusters

parent ceb1d134
......@@ -454,9 +454,13 @@ class EnsembleAnalysis(object):
# ens_getdists = ensemble.getDistances"Violation analysis")
out_file = os.path.join(out_path, 'violations.csv')
self.violation_analysis(project, iteration_id, restraints, bestensemble,
out_file, dists_ref=dists_ref)
for clustidx, clustensemble in clustensembles:
out_file = os.path.join(
'violations.csv' if len(clustensembles) == 1 else
'violations-clust%d.csv' % clustidx)
self.violation_analysis(project, iteration_id, restraints,
clustensemble, out_file, dists_ref=dists_ref)
# For the plotting part, we need a StructureEnsemble instance with all
# pdb files from the iteration
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