/// Convert from (persistent) string representation to aid
int MolCoord::fromStrAID(const LString &strid) const
{
if (!m_reAid.match(strid)) {
LOG_DPRINTLN("MolCoord> Invalid aid strid=%s (re match failed)", strid.c_str());
return -1;
}
// text type aid
int nsc = m_reAid.getSubstrCount();
if (nsc<4) {
LOG_DPRINTLN("MolCoord> Invalid aid strid=%s", strid.c_str());
return -1;
}
//elem.setAtomID(-1);
LString sChainName = m_reAid.getSubstr(1);
LString sResInd = m_reAid.getSubstr(2);
ResidIndex nResInd;
if (!sResInd.toInt(&nResInd.first)) {
LOG_DPRINTLN("MolCoord> Invalid aid resid value=%s", sResInd.c_str());
return -1;
}
LString sInsCode = m_reAid.getSubstr(3);
if (sInsCode.isEmpty())
nResInd.second = '\0';
else
nResInd.second = sInsCode.getAt(0);
LString sAtomName = m_reAid.getSubstr(4);
char cAltLoc = '\0';
if (nsc>6) {
LString sAltLoc = m_reAid.getSubstr(6);
if (!sAltLoc.isEmpty())
cAltLoc = sAltLoc.getAt(0);
}
MolAtomPtr pAtom = getAtom(sChainName, nResInd, sAtomName, cAltLoc);
if (pAtom.isnull()) {
LOG_DPRINTLN("MolCoord> fromStrAID/ atom <%s %s %s %c> not found in %s",
sChainName.c_str(), nResInd.toString().c_str(), sAtomName.c_str(),
cAltLoc=='\0'?' ':cAltLoc,
getName().c_str());
return -1;
}
return pAtom->getID();
}
