mcell/mdl/testsuite/regression/04-rx_flipflip.mdl

/****************************************************************************
 * Regression test 04: When two surface molecules undergo a reaction in which
 *       both reagents are preserved, and in which both reagents change
 *       orientation, counting does not occur properly.
 *
 *       Failure: as flippy increases, a000- and b000- remain 0
 *
 *       Success: a000- and b000- increase to non-zero values
 *                flippy increases
 *                at all times a000- + a000+ == 300
 *                at all times b000- + b000+ == 300
 *
 * Author: Jed Wing <[email protected]>
 * Date:   2008-09-10
 ****************************************************************************/

ITERATIONS = 5000
TIME_STEP = 1e-6
VACANCY_SEARCH_DISTANCE = 2

DEFINE_MOLECULES
{
  a000 { DIFFUSION_CONSTANT_2D = 2e-6 }
  b000 { DIFFUSION_CONSTANT_2D = 2e-6 }
}

DEFINE_REACTIONS
{
  a000' + b000' -> a000, + b000,   [>1e6]   : flippy
}

INSTANTIATE world OBJECT
{
  box000 BOX
  {
    CORNERS = [0, 0, 0], [0.1, 0.1, 0.1]
  }

  rs000a RELEASE_SITE
  {
    SHAPE = world.box000
    MOLECULE = a000'
    NUMBER_TO_RELEASE = 300
  }
  rs000b RELEASE_SITE
  {
    SHAPE = world.box000
    MOLECULE = b000'
    NUMBER_TO_RELEASE = 300
  }
}

REACTION_DATA_OUTPUT
{
  OUTPUT_BUFFER_SIZE = 50
  STEP = 1e-4
  HEADER = "# "
  {
    COUNT[b000{1},  world.box000] : "b000+",
    COUNT[b000{-1}, world.box000] : "b000-",
    COUNT[a000{1},  world.box000] : "a000+",
    COUNT[a000{-1}, world.box000] : "a000-",
    COUNT[flippy,   world.box000] : "flippy"
  } => "counts.txt"
}