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Commit e56badeb authored by Marco Biasini's avatar Marco Biasini
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remove unused functions

parent 5d763caf
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...@@ -35,50 +35,6 @@ using namespace ost::conop; ...@@ -35,50 +35,6 @@ using namespace ost::conop;
namespace ost { namespace 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) bool CopyResidue(ResidueHandle src_res, ResidueHandle dst_res, XCSEditor& edi)
{ {
......
...@@ -63,15 +63,10 @@ ICSEditor depr_request_ics_editor(EntityHandle e, EditMode m) ...@@ -63,15 +63,10 @@ ICSEditor depr_request_ics_editor(EntityHandle e, EditMode m)
return e.EditICS(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) PyObject* get_pos2(EntityHandle& entity, bool id_sorted)
{ {
#if OST_NUMPY_SUPPORT_ENABLED
npy_intp dims[]={entity.GetAtomCount(),3}; npy_intp dims[]={entity.GetAtomCount(),3};
PyObject* na = PyArray_SimpleNew(2,dims,NPY_FLOAT); PyObject* na = PyArray_SimpleNew(2,dims,NPY_FLOAT);
npy_float* nad = reinterpret_cast<npy_float*>(PyArray_DATA(na)); npy_float* nad = reinterpret_cast<npy_float*>(PyArray_DATA(na));
...@@ -93,17 +88,13 @@ PyObject* get_pos2(EntityHandle& entity, bool id_sorted) ...@@ -93,17 +88,13 @@ PyObject* get_pos2(EntityHandle& entity, bool id_sorted)
} }
} }
return na; return na;
#else
throw std::runtime_error("GetPositions disabled, since numpy support is not compiled in");
return 0;
#endif
} }
PyObject* get_pos1(EntityHandle& entity) PyObject* get_pos1(EntityHandle& entity)
{ {
return get_pos2(entity,true); return get_pos2(entity,true);
} }
#endif
} // ns } // ns
void export_Entity() void export_Entity()
...@@ -208,3 +199,4 @@ void export_Entity() ...@@ -208,3 +199,4 @@ void export_Entity()
.def(vector_indexing_suite<EntityHandleList>()) .def(vector_indexing_suite<EntityHandleList>())
; ;
} }
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