from xdrfile import *
from math import *

#you have to compile with --enable-shared
#and have libxdrfile.so in the LD_LIBRARY_PATH
#it expect the test.xtc file generated by xdrfile_c_test

DIM=3
fn="test.xtc"
x=xdrfile(fn)

natoms1 = 173
step1 = 1993
prec1 = 1000
time1 = 1097.23
box1=[[(i+1)*3.7 + (j+1) for j in range(DIM)] for i in range(DIM)]
toler = 1e-3

for k,f in enumerate(x):
    if f.natoms.value != natoms1: print "natoms != natoms1",f.natoms.value,natoms1
    if f.step.value != step1+k: print "incorrect step",f.step.value,step1+k,k
    if fabs(f.time.value-time1-k) > toler: print "incorrect time",f.time.value,time1+k
    if fabs(f.prec.value-prec1) > toler: print "incorrect precision",f.prec.value,prec1
    for i in range(DIM):
        for j in range(DIM):
            if fabs(f.box[i][j] - box1[i][j]) > toler: print "box incorrect",f.box[i][j],box1[i][j]
    for i in range(f.natoms.value):
        for j in range(DIM):
            target = (i+1)*3.7 + (j+1)
            if  f.x[i][j] - target > toler : print "x incorrect"

print "OK"