C++ (Cpp) LString::toUpperCase示例

示例#1

文件： PDBFileWriter.cpp 项目： CueMol/cuemol2

LString PDBFileWriter::formatAtomName(MolAtomPtr pAtom)
{
  LString atomnam = pAtom->getName();
  char cConfID = pAtom->getConfID();
  int elem = pAtom->getElement();
  
  if (cConfID=='\0')
    cConfID = ' ';

  // invalid name case
  if (atomnam.length()>=4||
      elem==ElemSym::XX) {
    return LString::format("%4s%c", atomnam.c_str(), cConfID);
  }

  LString elenam = ElemSym::symID2Str(elem);
  elenam = elenam.toUpperCase();
  int elepos = atomnam.indexOf(elenam);
  if (elepos<0) {
    return LString::format("%4s%c", atomnam.c_str(), cConfID);
  }
  
  LString atommod;
  // if (atomnam.equals(elenam)) {
  // // atom name==elem name
  // shead += LString::format(" %2s  ", elenam.c_str());
  // break;
  // }
  
  elepos += elenam.length();
  atommod = atomnam.substr(elepos);
  elenam = atomnam.substr(0, elepos);
  
  if (atommod.length()<=2) {
    return LString::format("%2s%-2s%c",
                           elenam.c_str(), atommod.c_str(), cConfID);
  }
  
  return LString::format("%4s%c", atomnam.c_str(), cConfID);
}