def spitnumpy(trajFileName, topology, Nconf):
outfile = "comTraj"
Nchol = trajIO.cholConc(topology)
N, L, com_lipids, com_chol = trajIO.processTrajCOM(trajFileName, Nchol,
c.NDIM, Nconf)
com_lipids, com_chol = trajIO.translateZ(com_lipids, com_chol)
trajIO.np.savez(outfile, L=L, com_lipids=com_lipids, com_chol=com_chol)
f.write(fmt % (time, data))
f.close()
if __name__ == '__main__':
name = 4
trajFileName = sys.argv[1]
Nconf = int(sys.argv[2])
nlog = int(sys.argv[3])
Nblock = Nconf // nlog
cutoff = 1.3 #anything above 20chol #maybe 1.3 for everything below?
percentage = c.percentages['lipids']['lower'][name]
if trajIO.rawOrCOM(trajFileName):
Nchol = trajIO.cholConc(topology)
N, L, com_lipids, com_chol = trajIO.processTrajCOM(
trajFileName, Nchol, c.NDIM, Nconf)
com_lipids, com_chol = trajIO.translateZ(com_lipids, com_chol)
Nlipids = com_lipids.shape[0]
else:
L, com_lipids, com_chol = trajIO.decompress(trajFileName)
com_lipids, com_chol = trajIO.translateZ(com_lipids, com_chol)
#parameters
del com_chol
cluster_sizes = [name]
name = str(cluster_sizes[0])
sys.stdout = open("norm" + name + ".txt", "w")
times = list(range(1, 46))
import sys
sys.path.append("../")
from bilayer_clusters import trajIO
from analysis import compress
import numpy
if __name__ == "__main__":
trajFileName = "../data/temp20"
chol = "../data/20chol.top"
Nchol = trajIO.cholConc(chol)
outfile = "../test/comTraj.npz"
compress.spitnumpy(trajFileName,chol,100)
N,L,com_lipids,com_chol = trajIO.processTrajCOM(trajFileName,Nchol,3,100)
L_new,lipids_new,chol_new = trajIO.decompress(outfile)
#print(numpy.array_equal(L,L_new))
#print(numpy.array_equal(com_lipids,lipids_new))
#print(numpy.array_equal(com_chol,chol_new))
print(lipids_new.shape)
if numpy.array_equal(L,L_new) and numpy.array_equal(com_lipids,lipids_new) and numpy.array_equal(com_chol,chol_new):
print("compressLoad test passed")
else:
print("compressLoad test failed")