From de0932e9ef0e13ab1d5bd6f7e4f0f9f2a50d2526 Mon Sep 17 00:00:00 2001
From: ansgar <ansgar@5a81b35b-ba03-0410-adc8-b2c5c5119f08>
Date: Mon, 5 Apr 2010 21:42:56 +0000
Subject: [PATCH] added Bond::GetOther convenience method
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1922 5a81b35b-ba03-0410-adc8-b2c5c5119f08
---
modules/mol/base/pymod/export_bond.cc | 3 +++
modules/mol/base/src/bond_handle.cc | 14 ++++++++++++++
modules/mol/base/src/bond_handle.hh | 5 +++++
3 files changed, 22 insertions(+)
diff --git a/modules/mol/base/pymod/export_bond.cc b/modules/mol/base/pymod/export_bond.cc
index 8537b2a13..e22adf98e 100644
--- a/modules/mol/base/pymod/export_bond.cc
+++ b/modules/mol/base/pymod/export_bond.cc
@@ -41,6 +41,8 @@ void export_Bond()
make_function(&BondHandle::GetFirst))
.add_property("second",
make_function(&BondHandle::GetSecond))
+ .add_property("other",
+ make_function(&BondHandle::GetOther))
.add_property("length",
&BondHandle::GetLength)
.add_property("bond_order",
@@ -48,6 +50,7 @@ void export_Bond()
&BondHandle::SetBondOrder)
.def("GetFirst", &BondHandle::GetFirst)
.def("GetSecond",&BondHandle::GetSecond)
+ .def("GetOther",&BondHandle::GetOther)
.def("GetLength",&BondHandle::GetLength)
.def("GetBondOrder",&BondHandle::GetBondOrder)
.def("SetBondOrder",&BondHandle::SetBondOrder)
diff --git a/modules/mol/base/src/bond_handle.cc b/modules/mol/base/src/bond_handle.cc
index 901a1ab4d..995f4d143 100644
--- a/modules/mol/base/src/bond_handle.cc
+++ b/modules/mol/base/src/bond_handle.cc
@@ -64,6 +64,20 @@ AtomHandle BondHandle::GetSecond() const
return nrvo;
}
+AtomHandle BondHandle::GetOther(const AtomHandle& a) const
+{
+ this->CheckValidity();
+ if(a.IsValid()) {
+ if(a.Impl()==impl_->GetFirst()) {
+ return GetSecond();
+ } else {
+ return GetFirst();
+ }
+ }
+ AtomHandle nrvo(impl_->GetFirst());
+ return nrvo;
+}
+
geom::Vec3 BondHandle::GetPos() const
{
this->CheckValidity();
diff --git a/modules/mol/base/src/bond_handle.hh b/modules/mol/base/src/bond_handle.hh
index ca3fc92f6..b23ca0679 100644
--- a/modules/mol/base/src/bond_handle.hh
+++ b/modules/mol/base/src/bond_handle.hh
@@ -73,6 +73,11 @@ public:
/// \brief get second atom
/// In python also available as the property second
AtomHandle GetSecond() const;
+
+ /// \brief get other atom
+ /// Returns one of the two atoms that does not match the given one.
+ /// In python also available as the property other
+ AtomHandle GetOther(const AtomHandle& a) const;
//@}
/// \brief return midpoint between the two atoms (transformed coordinates)
--
GitLab