/** Tests the basic insert step. */
@Test
public void testHandle() {
display.setProjectId(ID2);
final BaseResult result = mock(BaseResult.class);
when(result.getSourceName()).thenReturn(TEST_SOURCE_NAME);
when(calcDao.findCalculationId(ID2, TEST_SOURCE_NAME)).thenReturn(null);
when(calcDao.insertCalculation(eq(ID2), eq(TEST_SOURCE_NAME), anyListOf(Long.class)))
.thenReturn(ID);
display.write(null, result);
verify(calcDao).insertSummary(ID, result);
}
/** Tests init plus insert. */
@SuppressWarnings({"unchecked", "rawtypes"})
@Test
public void testSetupHandle() {
final List<String> catNames = Arrays.asList(CAT1, CAT2);
when(calcDao.findCategories(catNames))
.thenReturn(
(List)
Arrays.asList(
new DefaultCalculationCategory(CAT1, CAT_ID1),
new DefaultCalculationCategory(CAT2, CAT_ID2)));
when(calcDao.findProjectId(TEST_PROJ_NAME)).thenReturn(ID2);
display.setProjectConfig(TEST_PROJ_NAME, catNames);
final BaseResult result = mock(BaseResult.class);
when(result.getSourceName()).thenReturn(TEST_SOURCE_NAME);
when(calcDao.findCalculationId(ID2, TEST_SOURCE_NAME)).thenReturn(null);
when(calcDao.insertCalculation(
eq(ID2), eq(TEST_SOURCE_NAME), (Collection<Long>) argThat(hasItems(CAT_ID1, CAT_ID2))))
.thenReturn(ID);
display.write(null, result);
display.finish(null);
verify(calcDao).insertSummary(ID, result);
}
/**
* Fills a {@link BaseResult} instance with data from the AST.
*
* @param srcName The identifier for the source of the data.
* @param ast The AST to traverse.
* @return The filled result instance.
*/
private BaseResult extractSnapshotData(final String srcName, final CommonTree ast) {
final BaseResult result = new DefaultBaseResult(srcName);
int atomColCount = 0;
Atom curAtom = new DefaultAtom();
@SuppressWarnings("unchecked")
final List<CommonTree> eventList = ast.getChildren();
if (eventList == null) {
logger.error("Parse failed: no AST children found for source " + srcName);
return result;
}
for (CommonTree curNode : eventList) {
switch (curNode.getType()) {
case SnapshotLexer.EOF:
break;
case SnapshotLexer.CPUTIME:
result.getCpuTimes().add(processCpuTime(curNode));
break;
case SnapshotLexer.TERM:
result.getTerminationDates().add(processTermDate(curNode));
break;
case SnapshotLexer.MULT:
result.setMult(toInt(curNode.getText()));
break;
case SnapshotLexer.FREQVAL:
final Double freqVal = toDouble(curNode.getText());
if (freqVal != null) {
result.getFrequencyValues().add(freqVal);
}
break;
case SnapshotLexer.XYZINT:
case SnapshotLexer.XYZFLOAT:
handleAtom(curNode.getText(), curAtom, atomColCount);
atomColCount++;
if (atomColCount % ATOM_COL_COUNT == 0) {
result.addAtom(curAtom);
curAtom = new DefaultAtom();
}
break;
case SnapshotLexer.ELECENG:
result.setElecEn(toDouble(curNode.getText()));
break;
case SnapshotLexer.FUNCSET:
final String[] funcSetSplit = curNode.getText().split("/");
result.setFunctional(funcSetSplit[0]);
result.setBasisSet(funcSetSplit[1]);
break;
case SnapshotLexer.SOLVENT:
final String[] solvSplit = curNode.getText().split("=");
result.setSolvent(solvSplit[1]);
break;
case SnapshotLexer.ZPECORR:
result.setZpeCorrection(toDouble(curNode.getText()));
break;
case SnapshotLexer.G298:
result.setGibbs298(toDouble(curNode.getText()));
break;
case SnapshotLexer.H298:
result.setEnthalpy298(toDouble(curNode.getText()));
break;
case SnapshotLexer.CHARGE:
result.setCharge(toInt(curNode.getText()));
break;
case SnapshotLexer.STOI:
result.setStoichiometry(curNode.getText());
break;
case SnapshotLexer.DIPTOT:
result.setDipoleMomentTotal(toDouble(curNode.getText()));
break;
case SnapshotLexer.NATOMS:
result.setAtomCount(toInt(curNode.getText()));
break;
default:
logger.warn(String.format("Unhandled data %s %s", curNode.getType(), curNode.getText()));
break;
}
}
return result;
}
