Fixed - Use of global variables in partitions was broken since they w…

…ere never executed (and initialised).

TODO

@@ -1,6 +1,8 @@
 <h1>Known Bugs</h1>
 
 <ul>
+<li>Dialog widget values cannot easily bet set now - create widgets at parse time?</li>
+<li>Dialogs are displayed after load when loading models from CLI, and dialog 'ghost' always appears no matter what</li>
 <li>Closing a loaded forcefield while atom type names are displayed on atoms causes crash</li>
 <li>Function arguments can be passed to array-requiring paths without complaint (e.g. old p.com, now a function)</li>
 <li>Rebonding model also folds atoms, making --nofold irrelevant</li>
@@ -16,6 +18,8 @@
 <h1>Current TODO</h1>
 
 <ul>
+<li>Context-sensitivity of messages - e.g. pattern name (select pattern atoms), failed pattern creation (select bad atom)</li>
+<li>Easier access (menu items?) to atom shift and reorder commands</li>
 <li>Saving of movies for vibrations.</li>
 <li>PovRay export</li>
 <li>Save forcefield needs to be able to distinguish between types and uatypes, and 'convert' data is not yet written.</li>

data/partitions/cylinderz

@@ -10,7 +10,7 @@ int finegrid[3] = { 100,100,100 };
 int npartitions = 2;
 
 # A partition may contain options set through the defaultDialog as follows
-global double x = 0.5, y = 0.5, r = 0.1;
+global double x = 0.5, y = 0.5, r = 0.2;
 int partitionOptions()
 {
 	Dialog ui = createDialog("CylinderX Scheme Options");
@@ -20,9 +20,9 @@ int partitionOptions()
 	ui.addDoubleSpin("r", "R", 0.001, 1.0, 0.1, r);
 	if (ui.show())
 	{
-		x = ui.asInteger("x");
-		y = ui.asInteger("y");
-		r = ui.asInteger("r");
+		x = ui.asDouble("x");
+		y = ui.asDouble("y");
+		r = ui.asDouble("r");
 		return TRUE;
 	}
 	else return FALSE;

src/main/aten_partitions.cpp

@@ -137,16 +137,17 @@ bool Aten::openPartition(const char *filename)
 	// Construct partitions Program...
 	PartitioningScheme *ps = partitioningSchemes_.add();
 	bool success = ps->schemeDefinition().generateFromFile(filename, filename, FALSE);
-	if (success) success = ps->initialise();
+// 	if (success) success = 
 
-	if (success)
+	if ((!success) || (!ps->initialise()))
 	{
-		msg.print("Failed to load Partitions from '%s'...\n", filename);
+		msg.print("Failed to load partition from '%s'...\n", filename);
 		failedPartitioningSchemes_.add()->set( filename );
 		partitioningSchemes_.remove(ps);
 		msg.exit("Aten::openPartition");
 		return FALSE;
 	}
+
 	msg.exit("Aten::openPartition");
 	return TRUE;
 }

src/main/version.h

@@ -23,8 +23,8 @@
 #define ATEN_VERSION_H
 
 #define ATENVERSION "1.8"
-#define ATENREVISION "1753"
-#define ATENDATE "Mon 31 Oct - 10:45"
+#define ATENREVISION "1754"
+#define ATENDATE "Wed 02 Nov - 15:50"
 #define ATENURL "http://aten.googlecode.com/svn/trunk"
 
 #endif

src/methods/partition.cpp

@@ -321,6 +321,13 @@ bool PartitioningScheme::initialise()
 	}
 	else hasOptions_ = FALSE;
 
+	// Run main partition tree so all variables / globals are set
+	if (!schemeDefinition_.mainProgram()->execute(rv))
+	{
+		msg.print("Error: Failed to run through partitioning scheme code.\n");
+		return FALSE;
+	}
+
 	// Now can set up basic partition list
 	partitions_.clear();
 	for (int n = 0; n<nparts; ++n)