From 99b3fb882a789c1f73a5ea70d91dd137f69d4f10 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@stud.unibas.ch>
Date: Mon, 11 Nov 2013 13:07:10 +0100
Subject: [PATCH] add delete bond functionality to editors
---
modules/mol/base/pymod/export_editors.cc | 2 ++
modules/mol/base/src/editor_base.cc | 13 +++++++++++++
modules/mol/base/src/editor_base.hh | 14 ++++++++++++++
3 files changed, 29 insertions(+)
diff --git a/modules/mol/base/pymod/export_editors.cc b/modules/mol/base/pymod/export_editors.cc
index 6a659d286..cd7b326fd 100644
--- a/modules/mol/base/pymod/export_editors.cc
+++ b/modules/mol/base/pymod/export_editors.cc
@@ -243,6 +243,8 @@ void export_Editors()
.def("DeleteResidue", &EditorBase::DeleteResidue)
.def("DeleteChain", &EditorBase::DeleteChain)
.def("DeleteAtom", &EditorBase::DeleteAtom)
+ .def("DeleteBond", &EditorBase::DeleteBond)
+ .def("DeleteBonds", &EditorBase::DeleteBonds)
.def("InsertResidueBefore", &EditorBase::InsertResidueBefore)
.def("InsertResidueAfter", &EditorBase::InsertResidueAfter)
.def("AppendResidue", append_a)
diff --git a/modules/mol/base/src/editor_base.cc b/modules/mol/base/src/editor_base.cc
index 76e41f216..364ea0be0 100644
--- a/modules/mol/base/src/editor_base.cc
+++ b/modules/mol/base/src/editor_base.cc
@@ -193,6 +193,19 @@ void EditorBase::DeleteAtom(const AtomHandle& atom_handle)
atom_handle.GetResidue().Impl()->DeleteAtom(atom_handle.Impl());
}
+void EditorBase::DeleteBond(const BondHandle& bond)
+{
+ bond.GetFirst().Impl()->DeleteConnector(bond.Impl(),true);
+}
+
+void EditorBase::DeleteBonds(const BondHandleList& bond_list)
+{
+ for(BondHandleList::const_iterator i = bond_list.begin();
+ i != bond_list.end(); ++i){
+ i->GetFirst().Impl()->DeleteConnector(i->Impl(),true);
+ }
+}
+
void EditorBase::DeleteResidue(const ResidueHandle& residue_handle)
{
CheckHandleValidity(residue_handle);
diff --git a/modules/mol/base/src/editor_base.hh b/modules/mol/base/src/editor_base.hh
index 255390c29..a53391767 100644
--- a/modules/mol/base/src/editor_base.hh
+++ b/modules/mol/base/src/editor_base.hh
@@ -248,6 +248,20 @@ public:
///
/// All associated torsions and bonds will be removed as well
void DeleteAtoms(const AtomHandleList& atoms);
+
+ /// \ brief Delete bond
+ ///
+ /// \param bond
+ /// Is the bond to remove. If no such bond exists, this method will
+ /// have no effect
+ void DeleteBond(const BondHandle& bond);
+
+ /// \ brief Delete a set of bond
+ ///
+ /// \param bonds
+ /// bonds to remove. If no such bonds exist, this method will
+ /// have no effect
+ void DeleteBonds(const BondHandleList& bonds);
/// \brief Add named torsion to entity
TorsionHandle AddTorsion(const String& name, const AtomHandle& a1,
--
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