/*************************************************************************** * Test-15: Surface products placement done on sphere in the presence * of restrictive regions. * * Expected count results: "r4.dat" - positive, "r5.dat" - zeroes * Note: region "r4" is an intersection of three regions "r1", "r2", "r3" * region "r5" consists of all walls on the sphere minus region "r4" * * Author: Boris Kaminsky * Date: 2011-08-31 * ***************************************************************************/ CENTER_MOLECULES_ON_GRID = TRUE basename = "15-overlappingSRs" countdir = "dat/" & basename & "/" iterations = 100 time_step = 1e-6 ITERATIONS = iterations TIME_STEP = time_step VACANCY_SEARCH_DISTANCE = 1 DEFINE_MOLECULES { A {D_2D = 0} B {D_2D = 0} C {D_2D = 0} D {D_2D = 0} } DEFINE_SURFACE_CLASSES{ refl_A{ REFLECTIVE = A; } } DEFINE_REACTIONS { A; -> B; + C; + D; [1e5] } INCLUDE_FILE = "./overlappingSRs_Icosphere.mdl" INSTANTIATE World OBJECT { Icosphere OBJECT Icosphere{} A_rel RELEASE_SITE { SHAPE = World.Icosphere[r4] MOLECULE = A' NUMBER_TO_RELEASE = 500 } } REACTION_DATA_OUTPUT { ITERATION_LIST = [[ 90 TO 100 STEP 1]] HEADER = "# " { COUNT ["B;", World.Icosphere[r4]]: "r4_B", COUNT ["C;", World.Icosphere[r4]]: "r4_C", COUNT ["D;", World.Icosphere[r4]]: "r4_D" } => countdir & "r4.dat" { COUNT ["B;", World.Icosphere[r5]]: "r5_B", COUNT ["C;", World.Icosphere[r5]]: "r5_C", COUNT ["D;", World.Icosphere[r5]]: "r5_D" } => countdir & "r5.dat" } /* VIZ_OUTPUT { FILENAME = "./overlappingSRs" MOLECULES { NAME_LIST {ALL_MOLECULES} ITERATION_NUMBERS {ALL_DATA @ ALL_ITERATIONS} } MESHES { NAME_LIST {ALL_MESHES} ITERATION_NUMBERS {ALL_DATA @ [1]} } } */