public void setMol()

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);
            }
        }
    }