本文整理汇总了C++中Topology::Brief方法的典型用法代码示例。如果您正苦于以下问题：C++ Topology::Brief方法的具体用法？C++ Topology::Brief怎么用？C++ Topology::Brief使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类Topology的用法示例。
在下文中一共展示了Topology::Brief方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C++代码示例。
示例1: Execute
Exec::RetType Exec_ParmStrip::Execute(CpptrajState& State, ArgList& argIn) {
Topology* parm = State.DSL().GetTopByIndex( argIn );
if (parm == 0) return CpptrajState::ERR;
// Check if this topology has already been used to set up an input
// trajectory, as this will break the traj read.
bool topology_in_use = false;
const char* fname = 0;
for (TrajinList::trajin_it tIn = State.InputTrajList().trajin_begin();
tIn != State.InputTrajList().trajin_end(); ++tIn)
if ( (*tIn)->Traj().Parm() == parm ) {
topology_in_use = true;
fname = (*tIn)->Traj().Filename().full();
break;
}
if (!topology_in_use) {
for (TrajinList::ensemble_it eIn = State.InputTrajList().ensemble_begin();
eIn != State.InputTrajList().ensemble_end(); ++eIn)
if ( (*eIn)->Traj().Parm() == parm ) {
topology_in_use = true;
fname = (*eIn)->Traj().Filename().full();
break;
}
}
if (topology_in_use) {
mprinterr("Error: Topology '%s' has already been used to set up trajectory '%s'.\n"
"Error: To strip this topology use the 'strip' action.\n",
parm->c_str(), fname);
return CpptrajState::ERR;
}
AtomMask tempMask( argIn.GetMaskNext() );
// Since want to keep atoms outside mask, invert selection
tempMask.InvertMaskExpression();
if (parm->SetupIntegerMask( tempMask )) return CpptrajState::ERR;
mprintf("\tStripping atoms in mask [%s] (%i) from %s\n",tempMask.MaskString(),
parm->Natom() - tempMask.Nselected(), parm->c_str());
Topology* tempParm = parm->modifyStateByMask(tempMask);
if (tempParm==0) {
mprinterr("Error: %s: Could not strip parm.\n", argIn.Command());
return CpptrajState::ERR;
} else {
// Replace parm with stripped version
*parm = *tempParm;
parm->Brief("Stripped parm:");
delete tempParm;
}
return CpptrajState::OK;
}