Exemple #1
0
	def freeze(this, selection = -1, v = [0, 0, 0], simulation = -1):
		if(selection == -1):
			selection = this.selections - 1;
		#end
		if(selection == -1):
			print "There are no selections!";
			exit();
		#end
		lastSim = this.simulations[simulation];
		markFilename = lastSim + "/init/mark_%d.dat"%selection;
		if(not os.path.exists(markFilename)):
			print "%d is not a selection of the state %s"%(selection, lastSim);
			exit();
		#end
		frozenFilename = lastSim + "/init/frozen.dat";
		mdm.freeze(markFilename, frozenFilename, v);
Exemple #2
0
	def freeze(this, r1, r2, v = [0, 0, 0], types = "all", simulation = -1):
		if(types == "all"):
			types = [0, 1, 2];
		elif(types == "Si"):
			types = [0];
		elif(types == "O"):
			types = [1];
		elif(types == "H"):
			types = [2];
		#end
		splitted = this.splitted[simulation];
		length = this.stateNumbers[simulation];
		lastSim = this.simulations[simulation];
		if(splitted):
			mdf.combine(lastSim, length, states = "last");
		#end
		filename = lastSim + "/%05d/combined.xyz"%length;
		markFilename = lastSim + "/init/mark.dat";
		mdm.freeze(filename, markFilename, r1, r2, v, types);