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Searched refs:atomCode (Results 1 – 3 of 3) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/MMPA/
H A DMMPA.cpp43 unsigned atomCode = a.getAtomicNum(); in computeMorganCodeHash() local
44 atomCode |= a.getIsotope() << 8; in computeMorganCodeHash()
45 atomCode |= a.getFormalCharge() << 16; in computeMorganCodeHash()
46 atomCode |= (a.getIsAromatic() ? 1 : 0) << 30; in computeMorganCodeHash()
47 currCodes[ai] = atomCode; in computeMorganCodeHash()
/dports/databases/kbibtex/kbibtex-0.9.2/src/networking/onlinesearch/
H A Donlinesearchoclcworldcat.cpp175 …const QString atomCode = QString::fromUtf8(reply->readAll().constData()).remove(QStringLiteral("xm…
178 …const QString bibTeXcode = d->xslt->transform(atomCode).remove(QStringLiteral("<?xml version=\"1.0…
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/smarter/
H A DAtomSetCollectionReader.java1175 protected boolean filterReject(String f, String code, String atomCode) { in filterReject() argument
1178 (f.indexOf(code + atomCode) >= 0) in filterReject()