From e56badeb89a98260c074149d7213a4d8d3ac6b52 Mon Sep 17 00:00:00 2001
From: Marco Biasini <marco.biasini@unibas.ch>
Date: Mon, 11 Jun 2012 11:59:30 +0200
Subject: [PATCH] remove unused functions
---
modules/conop/src/nonstandard.cc | 44 -------------------------
modules/mol/base/pymod/export_entity.cc | 14 ++------
2 files changed, 3 insertions(+), 55 deletions(-)
diff --git a/modules/conop/src/nonstandard.cc b/modules/conop/src/nonstandard.cc
index 5effd8d90..b8f09f283 100644
--- a/modules/conop/src/nonstandard.cc
+++ b/modules/conop/src/nonstandard.cc
@@ -35,50 +35,6 @@ using namespace ost::conop;
namespace ost { namespace conop {
-namespace {
-
-bool CheckBackboneAtoms(ResidueHandle res)
-{
- String atom_names[]={"N", "CA", "C", "O"};
- std::vector<String> missing;
- for (int i =0; i<4; ++i) {
- if (!res.FindAtom(atom_names[i])) {
- missing.push_back(atom_names[i]);
- }
- }
- if (!missing.empty()) {
- std::stringstream ss;
- ss << "residue " << res.GetQualifiedName() << " is missing atoms ";
- for (std::vector<String>::const_iterator
- i=missing.begin(), e=missing.end(); i!=e; ++i) {
- if (i!=missing.begin()) {
- ss << ", ";
- }
- ss << *i;
- }
- LOG_WARNING(ss.str());
- return false;
- }
- return true;
-}
-
-bool CheckCalphaAtom(ResidueHandle res)
-{
- String atom_names[]={"N", "CA", "C", "O"};
- std::vector<String> missing;
- for (int i =0; i<4; ++i) {
- if (!res.FindAtom(atom_names[i])) {
- missing.push_back(atom_names[i]);
- }
- }
- if (!res.FindAtom("CA")) {
- LOG_WARNING("residue " << res.GetQualifiedName() << " is missing CA atom");
- return false;
- }
- return true;
-}
-
-}
bool CopyResidue(ResidueHandle src_res, ResidueHandle dst_res, XCSEditor& edi)
{
diff --git a/modules/mol/base/pymod/export_entity.cc b/modules/mol/base/pymod/export_entity.cc
index 6fda49c79..e1e3ac409 100644
--- a/modules/mol/base/pymod/export_entity.cc
+++ b/modules/mol/base/pymod/export_entity.cc
@@ -63,15 +63,10 @@ ICSEditor depr_request_ics_editor(EntityHandle e, EditMode m)
return e.EditICS(m);
}
-bool less_index(const mol::AtomHandle& a1, const mol::AtomHandle& a2)
-{
- return a1.GetIndex()<a2.GetIndex();
-}
-
+#if OST_NUMPY_SUPPORT_ENABLED
PyObject* get_pos2(EntityHandle& entity, bool id_sorted)
{
-#if OST_NUMPY_SUPPORT_ENABLED
npy_intp dims[]={entity.GetAtomCount(),3};
PyObject* na = PyArray_SimpleNew(2,dims,NPY_FLOAT);
npy_float* nad = reinterpret_cast<npy_float*>(PyArray_DATA(na));
@@ -93,17 +88,13 @@ PyObject* get_pos2(EntityHandle& entity, bool id_sorted)
}
}
return na;
-#else
- throw std::runtime_error("GetPositions disabled, since numpy support is not compiled in");
- return 0;
-#endif
}
PyObject* get_pos1(EntityHandle& entity)
{
return get_pos2(entity,true);
}
-
+#endif
} // ns
void export_Entity()
@@ -208,3 +199,4 @@ void export_Entity()
.def(vector_indexing_suite<EntityHandleList>())
;
}
+
--
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