Example #1
0
def read_next_xtc(handle, natoms, xpointer):
	step = c_int()
	time = c_real()
	prec = c_real()
	bOK = c_int()
	box =  matrix()
	ret=libgmx.read_next_xtc(handle,natoms,byref(step),byref(time),box,xpointer,byref(prec),byref(bOK))
#	if ret!=1:
#		raise GMXctypesError,"read_next_xtc did not return 1"

	return step.value,time.value,box,prec.value,bOK.value,ret
Example #2
0
def read_next_xtc(handle, natoms, xpointer):
    step = c_int()
    time = c_real()
    prec = c_real()
    bOK = c_int()
    box = matrix()
    ret = libgmx.read_next_xtc(handle, natoms, byref(step), byref(time), box,
                               xpointer, byref(prec), byref(bOK))
    #	if ret!=1:
    #		raise GMXctypesError,"read_next_xtc did not return 1"

    return step.value, time.value, box, prec.value, bOK.value, ret
Example #3
0
def read_first_xtc(handle):
	natoms = c_int()
	step = c_int()
	time = c_real()
	prec = c_real()
	bOK = c_int()
	box =  matrix()
	xpointer = POINTER(rvec)()
	ret=libgmx.read_first_xtc(handle,byref(natoms),byref(step),byref(time),box,byref(xpointer),byref(prec),byref(bOK))
#	if ret!=1:
#		raise GMXctypesError,"read_first_xtc did not return 1"
	return natoms.value,step.value,time.value,box,xpointer,prec.value,bOK.value,ret
Example #4
0
def read_first_xtc(handle):
    natoms = c_int()
    step = c_int()
    time = c_real()
    prec = c_real()
    bOK = c_int()
    box = matrix()
    xpointer = POINTER(rvec)()
    ret = libgmx.read_first_xtc(handle, byref(natoms), byref(step),
                                byref(time), box, byref(xpointer), byref(prec),
                                byref(bOK))
    #	if ret!=1:
    #		raise GMXctypesError,"read_first_xtc did not return 1"
    return natoms.value, step.value, time.value, box, xpointer, prec.value, bOK.value, ret
Example #5
0
def write_xtc(handle, natoms, step, time, box, xpointer, prec):
    ret = libgmx.write_xtc(handle, natoms, step, c_real(time), box, xpointer,
                           c_real(prec))
    return ret
Example #6
0
def write_xtc(handle, natoms, step, time, box, xpointer, prec):
    ret = libgmx.write_xtc(handle, natoms, step, c_real(time), box, xpointer, c_real(prec))
    return ret