/// <summary>
/// Copies the candidate graph, transfers the L-mapping, and returns the resultant candidate.
/// </summary>
public candidate CopyAndApplyOption(option opt, candidate cand, bool doMinimize)
{
var newCand = cand.copy();
var newOpt = opt.copy();
SearchProcess.transferLmappingToChild(newCand.graph, cand.graph, newOpt);
ApplyOption(newOpt, newCand, doMinimize);
return(newCand);
}
/// <summary>
/// Does a full invalidation check through empirical evidence. That is, it makes
/// a copy of the graph and tests to see if this is true.
/// </summary>
/// <param name="p">The p.</param>
/// <param name="q">The q.</param>
/// <param name="cand">The cand.</param>
/// <returns></returns>
static int fullInvalidationCheck(option p, option q, candidate cand)
{
var testGraph = cand.graph.copy();
var qCopy = q.copy();
var pCopy = p.copy();
SearchProcess.transferLmappingToChild(testGraph, cand.graph, pCopy);
SearchProcess.transferLmappingToChild(testGraph, cand.graph, qCopy);
pCopy.apply(testGraph, null);
var newOptions = q.rule.recognize(testGraph);
if (newOptions.Any(newOpt => sameLocation(qCopy, newOpt)))
{
return(-1);
}
// find if there is an option in newOptions that is the SAME elements as q.location
// then return false - p does NOT invalidate q
return(1);
}
/// <summary>
/// Returns whether the graph violates angle or carboxyl-blocking constraints.
/// </summary>
private static bool IsValidChild(candidate cand, option opt)
{
var newCand = cand.copy();
var newOpt = opt.copy();
SearchProcess.transferLmappingToChild(newCand.graph, cand.graph, newOpt);
newOpt.apply(newCand.graph, null);
var mol = OBFunctions.designgraphtomol(newCand.graph);
var mapping = OBFunctions.findcarboxylates(mol);
if (mapping.Count < 2)
{
return(true);
}
var carbA = mol.GetAtom(mapping[0][1]); // carbon in carboxylate
var aA = mol.GetAtom(mapping[0][3]); // atom that the carbon connects to
var carbB = mol.GetAtom(mapping[1][1]);
var aB = mol.GetAtom(mapping[1][3]);
var pAngle = OBFunctions.pairwiseangle(carbA, aA, carbB, aB); // angle between carboxylates
return(!OBFunctions.carboxylatesBlocked(mol, aA, carbA, aB, carbB) && pAngle >= AngleFloor);
}
public static void Run(designGraph seed, grammarRule rule, Relaxation RelaxationTemplate = null)
{
try
{
if (RelaxationTemplate == null)
{
RelaxationTemplate = new Relaxation(0);
}
var rnd = new Random();
int k = 0;
var continueTesting = true;
SearchIO.output("begin recognizing rule: " + rule.name + "on graph :" + seed.name, 2);
var dummyRS = new ruleSet();
dummyRS.Add(rule);
if (SearchIO.GetTerminateRequest(Thread.CurrentThread.ManagedThreadId))
{
return;
}
var options = dummyRS.recognize(seed, false, RelaxationTemplate.copy());
if (SearchIO.GetTerminateRequest(Thread.CurrentThread.ManagedThreadId))
{
return;
}
var numOptions = options.Count;
if (numOptions == 0)
{
if (MessageBox.Show("There were no recognized options. Should the rule be relaxed?", "Test Rule Status",
MessageBoxButton.YesNo, MessageBoxImage.Asterisk, MessageBoxResult.No) ==
MessageBoxResult.Yes)
{
Run(seed, rule, new Relaxation(RelaxationTemplate.NumberAllowable + 1));
}
return;
}
do
{
var status = "There ";
int choice = -1;
switch (numOptions)
{
case 0: throw new Exception("Should not be able to reach here. (Test Rule Chooser, zero options.)");
case 1:
status += "was only one recognized option and it applied as shown.\n";
choice = 0;
status += options[choice].Relaxations.RelaxationSummary;
break;
default:
status += "were " + numOptions + " recognized locations.\n";
choice = rnd.Next(options.Count);
status += options[choice].Relaxations.RelaxationSummary;
option.AssignOptionConfluence(options, new candidate(seed, 0), ConfluenceAnalysis.Full);
var numberWithConfluence = options.Count(o => (o.confluence.Count > 0));
var maxConfluence = options.Max(o => o.confluence.Count);
var withMaxConfluence = options.Count(o => (o.confluence.Count == maxConfluence));
if (numberWithConfluence > 0)
{
status += "Confluence existed between " + numberWithConfluence + " of them";
if (maxConfluence > 1)
{
status += "; \nwith " + withMaxConfluence + " options having a confluence with "
+ maxConfluence + " other options.\n";
}
else
{
status += ".\n";
}
}
status += "Option #" + choice + " was randomly chosen, and invoked.\n";
break;
}
if (!continueTesting)
{
continue;
}
if (SearchIO.GetTerminateRequest(Thread.CurrentThread.ManagedThreadId))
{
return;
}
var chosenOption = options[choice];
{
var seedCopy = seed.copy();
SearchProcess.transferLmappingToChild(seedCopy, seed, chosenOption);
seed = seedCopy;
}
chosenOption.apply(seed, null);
SearchIO.output("Rule sucessfully applied", 4);
SearchIO.addAndShowGraphWindow(seed, "After calling " + ++k + " rules");
if (SearchIO.GetTerminateRequest(Thread.CurrentThread.ManagedThreadId))
{
return;
}
options = dummyRS.recognize(seed, true, RelaxationTemplate.copy());
if (SearchIO.GetTerminateRequest(Thread.CurrentThread.ManagedThreadId))
{
return;
}
numOptions = options.Count;
switch (numOptions)
{
case 0:
status += "There are no recognized locations on the new graph";
continueTesting = false;
MessageBox.Show(status, "Test Rule Status", MessageBoxButton.OK, MessageBoxImage.Asterisk);
break;
case 1:
status += "There is one recognized location on the new graph. Would you like to invoke it?";
continueTesting = (MessageBox.Show(status, "Continue Applying?", MessageBoxButton.YesNo,
MessageBoxImage.Asterisk, MessageBoxResult.No) ==
MessageBoxResult.Yes);
break;
default:
status += "There are " + options.Count + " recognized locations on the new graph. Would you "
+ "like to randomly invoke one?";
continueTesting = (MessageBox.Show(status, "Continue Applying?", MessageBoxButton.YesNo,
MessageBoxImage.Asterisk, MessageBoxResult.No) ==
MessageBoxResult.Yes);
break;
}
} while (continueTesting);
}
catch (Exception exc)
{
ErrorLogger.Catch(exc);
}
}
