Changeset 1aa2a5 for molecuilder/src/builder.cpp

Timestamp:

Jan 14, 2010, 5:36:09 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

a34fab

Parents:

252790

Message:

FillBoxWithMolecule now allows boundary between filler molecules and the surface.

• boundary.cpp:
  • FillBoxWithMolecule() has additional parameter boundary and calls Tesselation::GetDistanceSquaredToSurface() to obtain distance to surface.
  • FillBoxWithMolecule(*) verbosity states now inner point or within boundary.

• builder.cpp:
  • ParseCommandLineOptions() in case 'F' takes seven arguments instead of six and calls FillBoxWithMolecule() correctly.

• tesselation.cpp:
  • Make const what needs to be const: BoundaryPointSet, BoundaryLineSet, BoundaryTriangleSet
  • added constructor BoundaryLineSet::BoundaryLineSet() that accept two endpoints instead of an array of two
  • new function BoundaryTriangleSet::GetClosestPointInsideTriangle() calculates closest point in a given triangle to a reference point and returns squared distance.
  • new function Tesselation::GetDistanceSquaredToSurface() that calculates the squared distance whose sign indicates whether reference is inside (-) or outside (+) and uses BoundaryTriangleSet::GetClosestPointInsideTriangle()
  • function Tesselation::IsInnerPoint() renamed to Tesselation::GetDistanceSquaredToSurface().
  • new function Tesselation::IsInnerPoint() just uses Tesselation::GetDistanceSquaredToSurface()

File:

• molecuilder/src/builder.cpp (modified) (2 diffs)

molecuilder/src/builder.cpp

@@ -1738 +1738 @@
               if (argptr+6 >=argc) {
                 ExitFlag = 255;
-                eLog() << Verbose(0) << "Not enough or invalid arguments given for filling box with water: -F <dist_x> <dist_y> <dist_z> <randatom> <randmol> <DoRotate>" << endl;
+                eLog() << Verbose(0) << "Not enough or invalid arguments given for filling box with water: -F <dist_x> <dist_y> <dist_z> <boundary> <randatom> <randmol> <DoRotate>" << endl;
                 performCriticalExit();
               } else {
@@ -1769 +1769 @@
                 for (int i=0;i<NDIM;i++)
                   distance[i] = atof(argv[argptr+i]);
-                Filling = FillBoxWithMolecule(molecules, filler, configuration, distance, atof(argv[argptr+3]), atof(argv[argptr+4]), atoi(argv[argptr+5]));
+                Filling = FillBoxWithMolecule(molecules, filler, configuration, distance, atof(argv[argptr+3]), atof(argv[argptr+4]), atof(argv[argptr+5]), atoi(argv[argptr+6]));
                 if (Filling != NULL) {
                   Filling->ActiveFlag = false;