def test_newH_profile():
n = 10
H = hamiltonian_sparse(*spin11())
for i in range(n):
_ = simsignals2(H, 11)
assert 1 == 1
from scipy.sparse import csc_matrix, csr_matrix, lil_matrix
import sparse
from nmrtools.nmrmath import is_allowed, normalize_spectrum, transition_matrix
from nmrtools.nmrplot import nmrplot
from speedtest.compare_hamiltonians import hamiltonian, hamiltonian_sparse
from speedtest.speedutils import timefn
from tests.test_spectraspeed import simsignals
from simulation_data import spin8, spin3, spin11, rioux
H3_MATRIX = hamiltonian(*spin3())
H3_NDARRAY = hamiltonian_sparse(*spin3())
H8_MATRIX = hamiltonian(*spin8())
H8_NDARRAY = hamiltonian_sparse(*spin8())
H11_MATRIX = hamiltonian(*spin11())
H11_NDARRAY = hamiltonian_sparse(*spin11())
H_RIOUX = hamiltonian(*rioux())
H_RIOUX_SPARSE = hamiltonian_sparse(*rioux())
@timefn
def numpy_eigh(h):
return np.linalg.eigh(h)
@timefn
def scipy_eigh(h):
return scipy.linalg.eigh(h)
from simulation_data import spin11, rioux
from candidates import candidate_hamiltonian, candidate_simsignals
from tests.test_simsignals import H_RIOUX, H11_NDARRAY
@profile
def test_h_mem():
return candidate_hamiltonian(*rioux())
@profile
def test_spec_mem(v, J):
h = candidate_hamiltonian(v, J)
return candidate_simsignals(h, len(v))
if __name__ == '__main__':
test_spec_mem(*spin11())
Lcol = np.vstack((Lx, Ly, Lz)).real
Lrow = Lcol.T # As opposed to sparse version of code, this works!
Lproduct = np.dot(Lrow, Lcol)
# Hamiltonian operator
H = np.zeros((2**nspins, 2**nspins))
# Add Zeeman interactions:
for n in range(nspins):
H = H + freqlist[n] * Lz[0, n]
# Scalar couplings
# Testing with MATLAB discovered J must be /2.
# Believe it is related to the fact that in the SpinDynamics.org simulation
# freqs are *2pi, but Js by pi only.
scalars = 0.5 * couplings
scalars = np.multiply(scalars, Lproduct)
for n in range(nspins):
for k in range(nspins):
H += scalars[n, k].real
return H
standard_3 = hamiltonian_original(*spin3())
standard_8 = hamiltonian_original(*spin8())
standard_11 = hamiltonian(*spin11())
# standard_fox = hamiltonian(*fox())