# Richard Darst, May 2009 import saiga12 #import saiga12.geom from saiga12.geom.grid import * from saiga12.geom.util import checkConnDistances, checkConnReversibility ccr = checkConnReversibility ccd = lambda S: checkConnDistances(S, 1., doAssert=True) S = Grid1d() ; S.makegrid(6) ; ccd(S) ; ccr(S) S = Grid2d() ; S.makegrid(6,6) ; ccd(S) ; ccr(S) S = Grid3d() ; S.makegrid(6,6,6) ; ccd(S) ; ccr(S) S = GridHex2d() ; S.makegrid(6,6) ; ccd(S) ; ccr(S) S = Grid3dHCP() ; S.makegrid(6,6,6) ; ccd(S) ; ccr(S)
# First, test the 3d grid (hexagonal close-packed)
#
S = Grid3dHCP()
S.makegrid(a, b, c)
S.addParticleRandomDensity(density, type_=12)
# set the first two particles on the x-axis to be a different color:
S.atomtype[S.lattsite[0]] = 3
S.atomtype[S.lattsite[36]] = 3
#print S.coords(numpy.arange(64))
# Print out distance of every atom from every other atom it is
# connected to.
# All of these distances should be 1:
checkConnDistances(S, 1, setType=2, doAssert=True)
# See if any connections are not symmetric:
findAsymmetry(S, doAssert=True)
if not globals().has_key("noviz"):
V = saiga12.viz.VizSystem(S)
V.vizMakeBox()
V.vizDisplay()
# draw connections:
drawConn(V, S, pos=1, )
#drawConn(V, S, 1, whichi=(8, 10))
if __name__ == "__main__":
interact(local=locals(), banner="")
