From 869ea36756dd1ab89bdf6c8634ddfefcfd574f39 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@stud.unibas.ch>
Date: Fri, 2 Nov 2012 09:03:24 +0100
Subject: [PATCH] Allow renumbering of single chain
---
modules/mol/base/pymod/export_editors.cc | 1 +
modules/mol/base/src/editor_base.cc | 5 +++++
modules/mol/base/src/editor_base.hh | 17 +++++++++++++++++
3 files changed, 23 insertions(+)
diff --git a/modules/mol/base/pymod/export_editors.cc b/modules/mol/base/pymod/export_editors.cc
index aae903f7d..e204bbd2e 100644
--- a/modules/mol/base/pymod/export_editors.cc
+++ b/modules/mol/base/pymod/export_editors.cc
@@ -249,6 +249,7 @@ void export_Editors()
.def("ReorderResidues",&EditorBase::ReorderResidues)
.def("ReorderAllResidues",&EditorBase::ReorderAllResidues)
.def("RenumberAllResidues",&EditorBase::RenumberAllResidues)
+ .def("RenumberChain",&EditorBase::RenumberChain)
;
void (XCSEditor::*apply_transform1)(const geom::Mat4&) = &XCSEditor::ApplyTransform;
diff --git a/modules/mol/base/src/editor_base.cc b/modules/mol/base/src/editor_base.cc
index ff19cddff..2b9a3b56d 100644
--- a/modules/mol/base/src/editor_base.cc
+++ b/modules/mol/base/src/editor_base.cc
@@ -208,6 +208,11 @@ void EditorBase::RenumberAllResidues(int start, bool keep_spacing)
ent_.Impl()->RenumberAllResidues(start, keep_spacing);
}
+void EditorBase::RenumberChain(ChainHandle& chain, int start, bool keep_spacing)
+{
+ chain.Impl()->RenumberAllResidues(start, keep_spacing);
+}
+
void EditorBase::RenameAtom(AtomHandle atom, const String& new_name)
{
CheckHandleValidity(atom);
diff --git a/modules/mol/base/src/editor_base.hh b/modules/mol/base/src/editor_base.hh
index 7d6f6d65a..c081ab978 100644
--- a/modules/mol/base/src/editor_base.hh
+++ b/modules/mol/base/src/editor_base.hh
@@ -277,6 +277,23 @@ public:
/// If set to false, residues will continously be renumbered ongoing from start.
/// Otherwise the spacings between the residues are kept.
void RenumberAllResidues(int start, bool keep_spacing);
+
+
+
+ /// \brief renumber residues of one chain
+ ///
+ /// \param chain
+ /// All residues of this chain will be renumbered according to the
+ /// parameters start and keep_spacing
+ ///
+ /// \param start
+ /// Residues of given chain will be renumbered, whereas the first
+ /// residue gets the residue number start.
+ ///
+ /// \param keep_spacing
+ /// If set to false, residues will continously be renumbered ongoing from start.
+ /// Otherwise the spacings between the residues are kept.
+ void RenumberChain(ChainHandle& chain, int start, bool keep_spacing);
/// \brief Get edit mode of editor
EditMode GetMode() const {return mode_;}
--
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