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 ctypes import c_void_p

class PythonNumpy(unittest.TestCase):
    def setUp(self):
        machine = None
        if 'LAMMPS_MACHINE_NAME' in os.environ:
            machine=os.environ['LAMMPS_MACHINE_NAME']
        self.lmp = lammps(name=machine,  cmdargs=['-nocite', '-log','none', '-echo','screen'])

    def tearDown(self):
        del self.lmp

    def testLammpsPointer(self):
        self.assertEqual(type(self.lmp.lmp), c_void_p)

    def testExtractComputeGlobalScalar(self):
        # TODO
        pass

    def testExtractComputeGlobalVector(self):
        self.lmp.command("region       box block 0 2 0 2 0 2")
        self.lmp.command("create_box 1 box")
        self.lmp.command("create_atoms 1 single 1.0 1.0 1.0")
        self.lmp.command("create_atoms 1 single 1.0 1.0 1.5")
        self.lmp.command("compute coordsum all reduce sum x y z")
        natoms = int(self.lmp.get_natoms())
        self.assertEqual(natoms,2)
        values = self.lmp.numpy.extract_compute("coordsum", LMP_STYLE_GLOBAL, LMP_TYPE_VECTOR)
        self.assertEqual(len(values), 3)
        self.assertEqual(values[0], 2.0)
        self.assertEqual(values[1], 2.0)
        self.assertEqual(values[2], 2.5)

    def testExtractComputeGlobalArray(self):
        # TODO
        pass

    def testExtractComputePerAtomVector(self):
        self.lmp.command("region       box block 0 2 0 2 0 2")
        self.lmp.command("create_box 1 box")
        self.lmp.command("create_atoms 1 single 1.0 1.0 1.0")
        self.lmp.command("create_atoms 1 single 1.0 1.0 1.5")
        self.lmp.command("compute ke all ke/atom")
        natoms = int(self.lmp.get_natoms())
        self.assertEqual(natoms,2)
        values = self.lmp.numpy.extract_compute("ke", LMP_STYLE_ATOM, LMP_TYPE_VECTOR)
        self.assertEqual(len(values), 2)
        self.assertEqual(values[0], 0.0)
        self.assertEqual(values[1], 0.0)

    def testExtractComputePerAtomArray(self):
        # TODO
        pass

    def testExtractComputeLocalScalar(self):
        # TODO
        pass

    def testExtractComputeLocalVector(self):
        # TODO
        pass

    def testExtractComputeLocalArray(self):
        # TODO
        pass

if __name__ == "__main__":
    unittest.main()