def test_math(self):
mnp0 = np.asmatrix(np.random.rand(9).reshape(3, 3))
mnp1 = np.asmatrix(np.random.rand(9).reshape(3, 3))
m0 = Matrix_3x3(mnp0)
m1 = Matrix_3x3(mnp1)
mnp01 = mnp0 * mnp1
m01 = m0 * m1
aa_eq_np(m01.to_ndmatrix(), mnp01)
def test_0(self):
import numpy as np
mat = Matrix_3x3(list(range(9)))
assert mat[:].shape == (3, 3)
assert mat.buffer1d.shape == (9, )
asmat1 = np.asmatrix(np.arange(9).reshape((3, 3))).astype(np.float64)
eq_np_to_mat(asmat1, mat)
mat[0, 0] = 100.
assert mat.tolist()[0][0] == 100.
# test memview
npmat = np.asmatrix(mat[:])
mat[0, 0] = 20.
assert npmat[0, 0] == 20.
mat *= mat
v1 = mat.row1
assert v1.tolist() == list(mat[0])
assert np.any(npmat == mat.to_ndmatrix()) == True
mat_as_ndmatrix = mat.as_ndmatrix()
mat_as_ndmatrix[0] = 10000.
assert np.any(npmat == mat.to_ndmatrix()) == True
assert np.any(npmat == mat_as_ndmatrix) == True
v1np = np.asarray(v1[:]).reshape(3, 1)
def test_0(self):
v1 = Vec3(0., 0., 0.)
v1[0] = 200.
v1[:] = [100, 300, 400]
assert v1.tolist() == [100, 300, 400]
assert isinstance(v1.tolist(), list) == True
from pytraj.math import Matrix_3x3
Matrix_3x3(list(range(9)))
def test_from_matrix_3x3(self):
from pytraj.math import Matrix_3x3
mat = Matrix_3x3()
Box(mat)
def test_0(self):
mat = Matrix_3x3(list(range(10, 19)))
vec = Vec3(list(range(3)))
def test_0(self):
Matrix_3x3(list(range(10, 19)))
Vec3(list(range(3)))