((ICrystal) currentMolecule).setSpaceGroup(sg); } else if (xpath.toString().endsWith("floatArray/") && (elementTitle.equals("a") || elementTitle.equals("b") || elementTitle.equals("c"))) {
((ICrystal) currentMolecule).setSpaceGroup(sg); } else if (xpath.toString().endsWith("floatArray/") && (elementTitle.equals("a") || elementTitle.equals("b") || elementTitle.equals("c"))) {
crystal.setSpaceGroup(spacegroup); } else if (command.equalsIgnoreCase(" ")) { logger.debug("Disrgarding line assumed to be added by PLATON: " + line);
crystal.setSpaceGroup(spacegroup); } else if (command.equalsIgnoreCase(" ")) { logger.debug("Disrgarding line assumed to be added by PLATON: " + line);
if (att.equals("spaceGroup")) { ((ICrystal) currentMolecule).setSpaceGroup(atts.getValue(i));
if (att.equals("spaceGroup")) { ((ICrystal) currentMolecule).setSpaceGroup(atts.getValue(i));
} else if (command.equals("_symmetry_space_group_name_H-M")) { String value = line.substring(29).trim(); crystal.setSpaceGroup(value); } else {
} else if (command.equals("_symmetry_space_group_name_H-M")) { String value = line.substring(29).trim(); crystal.setSpaceGroup(value); } else {
crystal.setSpaceGroup("P 2_1 2_1 2_1"); } else { crystal.setSpaceGroup("P1");
crystal.setSpaceGroup("P 2_1 2_1 2_1"); } else { crystal.setSpaceGroup("P1");
@Test public void testSetSpaceGroup_String() { ICrystal crystal = (ICrystal) newChemObject(); String spacegroup = "P 2_1 2_1 2_1"; crystal.setSpaceGroup(spacegroup); Assert.assertEquals(spacegroup, crystal.getSpaceGroup()); }
line = input.readLine(); logger.debug((lineNumber++) + ": ", line); crystal.setSpaceGroup(line);
@Test public void testGetSpaceGroup() { ICrystal crystal = (ICrystal) newChemObject(); String spacegroup = "P 2_1 2_1 2_1"; crystal.setSpaceGroup(spacegroup); Assert.assertNotNull(crystal.getSpaceGroup()); Assert.assertEquals(spacegroup, crystal.getSpaceGroup()); }