From 9b7c918db2ddcf6bc4fe034475df06b21cb9281f Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Mon, 17 Jun 2019 14:15:00 +0200 Subject: [PATCH] document functionality to access alternative atom groups in residue handles --- modules/mol/base/doc/entity.rst | 37 +++++++++++++++++++++++++++++++++ 1 file changed, 37 insertions(+) diff --git a/modules/mol/base/doc/entity.rst b/modules/mol/base/doc/entity.rst index 47b4b9915..05a4bac2a 100644 --- a/modules/mol/base/doc/entity.rst +++ b/modules/mol/base/doc/entity.rst @@ -698,6 +698,43 @@ The Handle Classes name could be found, an invalid :class:`AtomHandle` otherwise + .. method:: HasAltAtoms() + + Returns whether the residue has any alternative atom groups + + :rtype: :class:`bool` + + .. method:: HasAltAtomGroup(group_name) + + Returns whether the residue has a certain alternative atom group + + :param group_name: Group of interest + :type group_name: :class:`str` + :rtype: :class:`bool` + + .. method:: GetAltAtomGroupNames() + + Returns names of all alternative atom groups in residue + + :rtype: :class:`list` of :class:`str` + + .. method:: GetCurrentAltGroupName() + + Returns the currently active alternative atom group, empty + :class:`str` if residue has no alternative atom groups + + :rtype: :class:`str` + + .. method:: SwitchAtomPos(group_name) + + Switches the atoms in residue to the specified alternative atom group + + :param group_name: Group of interest + :type group_name: :class:`str` + :rtype: :class:`bool` + :returns: Whether the switch was successful (e.g. False if no such + group exists) + .. method:: GetAtomList() See :attr:`atoms` -- GitLab