private void addDihedralRes(String line, Section actualSection) {
if (actualSection != null) {
List<String> split = reworkLine(line);
List<DihedralRestraint> diheRes = actualSection.getDihedralRestraints();
DihedralRestraintImpl res = new DihedralRestraintImpl();
if (split.size() == 7) {
res.setAi(split.get(0));
res.setAj(split.get(1));
res.setAk(split.get(2));
res.setAl(split.get(3));
res.setFuncType(Integer.parseInt(split.get(4)));
res.setC1(new BigDecimal(split.get(5)));
res.setC2(new BigDecimal(split.get(6)));
diheRes.add(res);
} else if (split.size() == 10) {
res.setAi(split.get(0));
res.setAj(split.get(1));
res.setAk(split.get(2));
res.setAl(split.get(3));
res.setFuncType(Integer.parseInt(split.get(4)));
res.setLabel(split.get(5));
res.setC1(new BigDecimal(split.get(6)));
res.setC2(new BigDecimal(split.get(7)));
res.setC3(new BigDecimal(split.get(8)));
res.setC4(new BigDecimal(split.get(9)));
diheRes.add(res);
} else {
ch.printErrorln(String.format("some dihedral restraints values are lost! --> %s", line));
}
}
}
