本文整理汇总了C++中AtomMask::Selected方法的典型用法代码示例。如果您正苦于以下问题：C++ AtomMask::Selected方法的具体用法？C++ AtomMask::Selected怎么用？C++ AtomMask::Selected使用的例子？那么, 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AtomMask的用法示例。
在下文中一共展示了AtomMask::Selected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: SetupBlock
/** Set up each mask/integer loop. */
int ControlBlock_For::SetupBlock(CpptrajState& State, ArgList& argIn) {
mprintf(" Setting up 'for' loop.\n");
Vars_.clear();
Topology* currentTop = 0;
static const char* TypeStr[] = { "ATOMS ", "RESIDUES ", "MOLECULES ",
"MOL_FIRST_RES ", "MOL_LAST_RES " };
static const char* OpStr[] = {"+=", "-=", "<", ">"};
description_.assign("for (");
int MaxIterations = -1;
int iarg = 0;
while (iarg < argIn.Nargs())
{
// Advance to next unmarked argument.
while (iarg < argIn.Nargs() && argIn.Marked(iarg)) iarg++;
if (iarg == argIn.Nargs()) break;
// Determine 'for' type
ForType ftype = UNKNOWN;
bool isMaskFor = true;
int argToMark = iarg;
if ( argIn[iarg] == "atoms" ) ftype = ATOMS;
else if ( argIn[iarg] == "residues" ) ftype = RESIDUES;
else if ( argIn[iarg] == "molecules" ) ftype = MOLECULES;
else if ( argIn[iarg] == "molfirstres" ) ftype = MOLFIRSTRES;
else if ( argIn[iarg] == "mollastres" ) ftype = MOLLASTRES;
else if ( argIn[iarg].find(";") != std::string::npos ) {
isMaskFor = false;
ftype = INTEGER;
}
// If type is still unknown, check for list.
if (ftype == UNKNOWN) {
if (iarg+1 < argIn.Nargs() && argIn[iarg+1] == "in") {
ftype = LIST;
isMaskFor = false;
argToMark = iarg+1;
}
}
// Exit if type could not be determined.
if (ftype == UNKNOWN) {
mprinterr("Error: for loop type not specfied.\n");
return 1;
}
argIn.MarkArg(argToMark);
Vars_.push_back( LoopVar() );
LoopVar& MH = Vars_.back();
int Niterations = -1;
// Set up for specific type
if (description_ != "for (") description_.append(", ");
// -------------------------------------------
if (isMaskFor)
{
// {atoms|residues|molecules} <var> inmask <mask> [TOP KEYWORDS]
if (argIn[iarg+2] != "inmask") {
mprinterr("Error: Expected 'inmask', got %s\n", argIn[iarg+2].c_str());
return 1;
}
AtomMask currentMask;
if (currentMask.SetMaskString( argIn.GetStringKey("inmask") )) return 1;
MH.varType_ = ftype;
Topology* top = State.DSL().GetTopByIndex( argIn );
if (top != 0) currentTop = top;
if (currentTop == 0) return 1;
MH.varname_ = argIn.GetStringNext();
if (MH.varname_.empty()) {
mprinterr("Error: 'for inmask': missing variable name.\n");
return 1;
}
MH.varname_ = "$" + MH.varname_;
// Set up mask
if (currentTop->SetupIntegerMask( currentMask )) return 1;
currentMask.MaskInfo();
if (currentMask.None()) return 1;
// Set up indices
if (MH.varType_ == ATOMS)
MH.Idxs_ = currentMask.Selected();
else if (MH.varType_ == RESIDUES) {
int curRes = -1;
for (AtomMask::const_iterator at = currentMask.begin(); at != currentMask.end(); ++at) {
int res = (*currentTop)[*at].ResNum();
if (res != curRes) {
MH.Idxs_.push_back( res );
curRes = res;
}
}
} else if (MH.varType_ == MOLECULES ||
MH.varType_ == MOLFIRSTRES ||
MH.varType_ == MOLLASTRES)
{
int curMol = -1;
for (AtomMask::const_iterator at = currentMask.begin(); at != currentMask.end(); ++at) {
int mol = (*currentTop)[*at].MolNum();
if (mol != curMol) {
if (MH.varType_ == MOLECULES)
MH.Idxs_.push_back( mol );
else {
int res;
if (MH.varType_ == MOLFIRSTRES)
res = (*currentTop)[ currentTop->Mol( mol ).BeginAtom() ].ResNum();
else // MOLLASTRES
res = (*currentTop)[ currentTop->Mol( mol ).EndAtom()-1 ].ResNum();
//.........这里部分代码省略.........