/// <summary>
/// Clean way to minimize a graph.
/// </summary>
private designGraph Minimize(designGraph graph)
{
var mol = OBFunctions.designgraphtomol(graph);
var newMol = OBFunctions.InterStepMinimize(mol);
OBFunctions.updatepositions(graph, newMol);
return(graph);
}
/// <summary>
/// Clean way to minimize a graph.
/// </summary>
private designGraph Minimize(designGraph graph)
{
var mol = QuickMinimization(OBFunctions.designgraphtomol(graph), IODir + "rank" + ".lmpdat",
IODir + "rank" + ".coeff", false, 0);
OBFunctions.updatepositions(graph, mol);
return(OBFunctions.tagconvexhullpoints(graph));
}