From 20066332083f07e6bdac24c46f600f0eecabee92 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@stud.unibas.ch>
Date: Thu, 30 May 2013 23:38:27 +0200
Subject: [PATCH] correctly parse dialect input parameter
---
modules/conop/pymod/export_compound.cc | 13 ++++++++++---
1 file changed, 10 insertions(+), 3 deletions(-)
diff --git a/modules/conop/pymod/export_compound.cc b/modules/conop/pymod/export_compound.cc
index 4ed7248f4..3a9e4e611 100644
--- a/modules/conop/pymod/export_compound.cc
+++ b/modules/conop/pymod/export_compound.cc
@@ -75,6 +75,13 @@ CompoundPtr find_compound(CompoundLibPtr comp_lib,
return comp_lib->FindCompound(tlc, tr_dialect(dialect));
}
+bool is_residue_complete(CompoundLibPtr comp_lib,
+ const ost::mol::ResidueHandle& res,
+ bool check_hydrogens, const String& dialect)
+{
+ return comp_lib->IsResidueComplete(res, check_hydrogens, tr_dialect(dialect));
+}
+
String get_creation_date(CompoundLibPtr comp_lib)
{
return comp_lib->GetCreationDate().ToString();
@@ -135,9 +142,9 @@ void export_Compound() {
.def("Load", &CompoundLib::Load, arg("readonly")=true).staticmethod("Load")
.def("FindCompound", &find_compound,
(arg("tlc"), arg("dialect")="PDB"))
- .def("IsResidueComplete",&CompoundLib::IsResidueComplete, (arg("residue"),
- arg("check_hydrogens")=false,
- arg("dialect")="PDB"))
+ .def("IsResidueComplete", &is_residue_complete, (arg("residue"),
+ arg("check_hydrogens")=false,
+ arg("dialect")="PDB"))
.def("ClearCache", &CompoundLib::ClearCache)
.def("GetOSTVersionUsed", &CompoundLib::GetOSTVersionUsed)
.def("GetCreationDate", &get_creation_date, (arg("comp_lib")))
--
GitLab