def test_write_output():
#Test the ability to write correctly formatted output text files.
test_idx = [1, 2]
test_vector = [[1,2,3], [4,5,6]]
fname = "writetest.txt"
schro.write_output(test_idx,test_vector,fname)
file_data = np.genfromtxt(fname)
assert(np.isclose(file_data[1][0], test_idx[1]))
os.remove(fname)
def test_legendre_gen():
'''Test the output of the recursive legendre polynomial generator'''
n = 4
x1 = 0
x2 = 1
x3 = -1
print(schro.legendre_gen(x1, n))
print(schro.legendre_gen(x2, n))
assert(np.isclose(schro.legendre_gen(x1, n), [1, 0, -.5, 0]).all())
assert(np.isclose(schro.legendre_gen(x2, n), [1, 1, 1, 1]).all())
assert(np.isclose(schro.legendre_gen(x3, n), [1, -1, 1, -1]).all())
def test_math_integrator2():
'''Performs a quick test on the integrator function on fourier basis'''
tstart = -1
tstop = 1
k1 = 3
k2 = 2
yout = schro.integrator_fou(schro.wavefunc_fou2,(k1, k2), [tstart, tstop])
print(yout)
assert(np.isclose(yout,0))
k1 = 2
k2 = 2
yout = schro.integrator_fou(schro.wavefunc_fou2,(k1, k2), [tstart, tstop])
print(yout)
assert(np.isclose(yout,1))
def test_diagonalize_leg():
'''Tests the hamiltonian diagonalizer for a legendre basis via the normalized eigenvectors '''
V0 = 1
const = 1
n_bs = 3
bs = b'l'
domain = [-1,1]
ham = np.matrix(schro.gen_ham(V0, const, n_bs, bs, domain))
eig, v = schro.diagonalize(ham)
print(ham)
print(eig)
print(v)
print(not np.isclose(eig.sum(),0))
assert(not np.isclose(eig.sum(),0))
def test_diagonalize():
'''Tests the hamiltonian diagonalizer via the normalized eigenvectors '''
V0 = 1
const = 1
n_bs = 6
bs = b'f'
domain = [-1,1]
ham = np.matrix(schro.gen_ham(V0, const, n_bs, bs, domain))
eig, v = schro.diagonalize(ham)
#print(ham)
#print(eig)
#print(v)
#print(np.diagonal(np.absolute(v)).sum())
assert(np.isclose(np.diagonal(np.absolute(v)).sum(), n_bs,rtol=1.e-2))
def test_math_integrator():
'''Performs a quick test on the integrator function on sin(x)'''
tstart = 0
tstop = 2
k = 7
yout = schro.integrator_fou(schro.wavefunc_fou,k, [tstart, tstop])
print(yout)
assert(np.isclose(yout,0))
def test_math_integrator_leg():
'''Performs a quick test on the integrator function legendre polynomials'''
tstart = -1
tstop = 1
n1 = 4
n2 = 3
yout1 = schro.integrator_fou(schro.legendre_combo, (n1, n2), [tstart, tstop])
yout2 = schro.integrator_fou(schro.legendre_combo, (n2, n2), [tstart, tstop])
yout3 = schro.integrator_fou(schro.legendre_deriv_combo, (n1, n2), [tstart, tstop])
yout4 = schro.integrator_fou(schro.legendre_deriv_combo, (n2, n2), [tstart, tstop])
print(yout1)
print(yout2)
print(yout3)
print(yout4)
assert(np.isclose(yout1, 0)) #Orthogonal
assert(np.isclose(yout2, 0.4)) #Checked by hand
assert(np.isclose(yout3, 0))
assert(np.isclose(yout4, 0))
def test_ham_generator_leg():
'''Tests the hamiltonian generator for legendre basis'''
V0 = 1
const = 1
n_bs = 5
bs = b'l'
domain = [-1,1]
ham = np.matrix(schro.gen_ham(V0, const, n_bs, bs, domain))
print(ham)
#The Hamiltonian should be self-adjunct so...
assert(np.isclose(ham.H, ham).any())
def test_ham_generator():
'''Tests the hamiltonian generator. Unfortunately, products are not edible'''
V0 = 1
const = 1
n_bs = 5
bs = b'f'
domain = [-1,1]
ham = np.matrix(schro.gen_ham(V0, const, n_bs, bs, domain))
print(ham)
#The Hamiltonian should be self-adjunct so...
assert(np.isclose(ham.H, ham).any())
def test_legendre_deriv_gen():
'''Test the output of the legendre polynomial second derivative generator'''
n = 5
x1 = 0
x2 = 1
x3 = -1
print(schro.legendre_deriv_gen(x1, n))
print(schro.legendre_deriv_gen(x2, n))
print(schro.legendre_deriv_gen(x3, n))
assert(np.isclose(schro.legendre_deriv_gen(x1, n), [0, 0, 3, 0, -7.5]).all())
assert(np.isclose(schro.legendre_deriv_gen(x2, n), [0, 0, 3, 15, 45]).all())
assert(np.isclose(schro.legendre_deriv_gen(x3, n), [0, 0, 3, -15, 45]).all())
def test_read_param_read():
'''Tests if the function reads and returns given an input file'''
test_string = '''
#test paramter read
#i V0 c bs_coefficients basis_set domain
0, 1, 1, 3, l, -inf, inf
1, 0, 1, 1, f, -inf, inf
2, 1, 2, 2, l, -1, 1
3, 1, 2, 2, f, -1, 1
'''
test_file = 'tests/testfile1.txt'
indx, V0, const, n_bs, bs, domain = schro.read_param(test_file)
#print((np.isclose(pos, [0,1,2,3,4])).any())
assert((np.isclose(indx, [0,1,2,3])).any())
assert((np.isclose(V0, [1,0,1,1])).any())
assert((np.isclose(const,[1,1,2,2])).any())
assert((np.isclose(n_bs, [3,-1,2,20])).any())
assert(bs == [b'l', b'f', b'l', b'f']) #I thought you were my friend, python
assert((np.isclose(domain, [(-math.inf, math.inf), (-math.inf, math.inf), (-1, 1), (-1, 1)])).any())
def test_wavefunc_fou2():
'''Quick sanity check for the two-k Fourier basis wavefunction'''
assert(np.isclose(schro.wavefunc_fou2(0,1,0), 0))
assert(np.isclose(schro.wavefunc_fou2(0,0,0), 0))
assert(np.isclose(schro.wavefunc_fou2(0,1,1), 1))