in server/src/main/java/com/epam/indigoeln/core/chemistry/sdf/SdUnit.java [356:391]
public void setMol(String mol) {
String mol1;
if (mol.contains(MOLECULE_PATTERN)) {
mol1 = mol.substring(0, mol.indexOf(MOLECULE_PATTERN) + MOLECULE_PATTERN.length())
+ "\n";
} else {
mol1 = mol;
}
String tmp = validateDetail(mol1);
if (tmp.startsWith(OK)) {
if (tmp.contains("3D")) {
is3D = true;
}
String num = tmp.substring(tmp.lastIndexOf(" ") + 1).trim();
try {
numAtoms = Integer.parseInt(num);
} catch (NumberFormatException nfe) {
numAtoms = -1;
}
tmp = OK;
}
if (!OK.equals(tmp)) {
if (validString.startsWith(OK)) {
validString = tmp;
}
} else {
validString = validString + " AND UPON MOL MODIFICATION " + tmp;
}
if (valid) {
try {
molPortion = createConsistentLineTermination(mol);
} catch (Exception e) {
LOGGER.error("SDUnit setMol error", e);
}
}
}