ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Add numpy.extract_atom_darray test

Browse Source
This commit is contained in:
Richard Berger
2020-09-16 18:04:45 -04:00
parent e6703019bc
commit 12582edfb7
1 changed files with 30 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

31
unittest/python/python-numpy.py
View File

@ -1,5 +1,5 @@
import sys,os,unittest import sys,os,unittest
from lammps import lammps, LMP_STYLE_GLOBAL, LMP_STYLE_LOCAL, LMP_STYLE_ATOM, LMP_TYPE_VECTOR, LMP_TYPE_SCALAR, LMP_TYPE_ARRAY from lammps import lammps, LAMMPS_INT, LMP_STYLE_GLOBAL, LMP_STYLE_LOCAL, LMP_STYLE_ATOM, LMP_TYPE_VECTOR, LMP_TYPE_SCALAR, LMP_TYPE_ARRAY
from ctypes import c_void_p from ctypes import c_void_p
class PythonNumpy(unittest.TestCase): class PythonNumpy(unittest.TestCase):
@ -66,5 +66,34 @@ class PythonNumpy(unittest.TestCase):
# TODO # TODO
pass pass
def testExtractAtom(self):
self.lmp.command("units lj")
self.lmp.command("atom_style atomic")
self.lmp.command("atom_modify map array")
self.lmp.command("region box block 0 2 0 2 0 2")
self.lmp.command("create_box 1 box")
x = [
1.0, 1.0, 1.0,
1.0, 1.0, 1.5
]
types = [1, 1]
self.assertEqual(self.lmp.create_atoms(2, id=None, type=types, x=x), 2)
nlocal = self.lmp.extract_global("nlocal", LAMMPS_INT)
self.assertEqual(nlocal, 2)
ident = self.lmp.numpy.extract_atom_iarray("id", nlocal, dim=1)
self.assertEqual(len(ident), 2)
ntypes = self.lmp.extract_global("ntypes", LAMMPS_INT)
self.assertEqual(ntypes, 1)
x = self.lmp.numpy.extract_atom_darray("x", nlocal, dim=3)
v = self.lmp.numpy.extract_atom_darray("v", nlocal, dim=3)
self.assertEqual(len(x), 2)
self.assertEqual(len(v), 2)
if __name__ == "__main__": if __name__ == "__main__":
unittest.main() unittest.main()