def test_cleanup():
# make a mess
v, J = spin8()
hamiltonian(v, J)
# then clean it up
files_cleaned = cleanup()
print('FILES CLEANED:')
print(files_cleaned)
path = os.getcwd()
spin8_operators = ['Lproduct8.npy', 'Lz8.npy']
operators = [os.path.join(path, operator) for operator in spin8_operators]
assert files_cleaned == operators
for operator in operators:
assert not os.path.isfile(operator), 'File left behind! ' + operator
def test_oldH_profile():
n = 10
H = hamiltonian(*spin11())
for i in range(n):
_ = simsignals2(H, 11)
assert 1 == 1
"""Testing the performance for the entire spectrum calculation."""
import numpy as np
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 simulation_data import spin8, spin3, spin11
H8 = hamiltonian(*spin8())
H8_SPARSE = hamiltonian_sparse(*spin8())
print('Import type: ', type(H8_SPARSE))
# Below are older functions that were written before completion of
# test_simsignals.py
def nspinspec(h_func, freqs, couplings, normalize=True):
"""A version of nmrtools.nmrmath.nspinspec that accepts different H functions."""
"""
Calculates second-order spectral data (freqency and intensity of signals)
for *n* spin-half nuclei.
Parameters
---------
freqs : [float...]
a list of *n* nuclei frequencies in Hz
couplings : array-like
def test_hamiltonian():
v, J = SPIN_SYSTEM()
test_H = hamiltonian(v, J)
assert np.array_equal(test_H, STANDARD_H)
def hamiltonian_loop(v, J, n):
for i in range(n):
_ = hamiltonian(v, J)
# cleanup()
return _
profile = line_profiler.LineProfiler()
import numpy as np
import scipy
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