diff --git a/qpms/lattices.py b/qpms/lattices.py index 854403f..994d55c 100644 --- a/qpms/lattices.py +++ b/qpms/lattices.py @@ -8,6 +8,35 @@ import sys from qpms_c import get_mn_y # TODO be explicit about what is imported from .qpms_p import cart2sph, nelem2lMax, Ã, B̃ # TODO be explicit about what is imported +def _time_b(active = True, name = None, step = None): + ''' + Auxiliary function for keeping track of elapsed time. + Returns current time (to be used by _time_e). + ''' + now = time.time() + if active: + if not name: + name = sys._getframe(1).f_code.co_name + if step: + print('%.4f: %s in function %s started.' % (now, step, name), file = sys.stderr) + else: + print('%.4f: Function %s started.' % (now, name), file=sys.stderr) + sys.stderr.flush() + return now + +def _time_e(start_time, active = True, name = None, step = None): + now = time.time() + if active: + if not name: + name = sys._getframe(1).f_code.co_name + if step: + print('%.4f: %s in function %s finished (elapsed %.2f s).' + % (now, step, name, now - start_time), file = sys.stderr) + else: + print('%.4f: Function %s finished (elapsed %.2f s).' + % (now, name, now - start_time), file = sys.stderr) + sys.stderr.flush() + class Scattering(object): ''' @@ -59,6 +88,7 @@ class Scattering(object): self.TMatrices = np.broadcast_to(TMatrices, (self.N,2,nelem,2,nelem)) def prepare(self, keep_interaction_matrix = False, verbose=False): + btime = _time_b(verbose) if not self.prepared: if not self.interaction_matrix: self.build_interaction_matrix(verbose=verbose) @@ -66,12 +96,15 @@ class Scattering(object): if not keep_interaction_matrix: self.interaction_matrix = None self.prepared = True + _time_e(btime, verbose) def build_interaction_matrix(self,verbose = False): + btime = _time_b(verbose) N = self.N my, ny = get_mn_y(self.lMax) nelem = len(my) leftmatrix = np.zeros((N,2,nelem,N,2,nelem), dtype=complex) + sbtime = _time_b(verbose, step = 'Calculating interparticle translation coefficients') for i in range(N): for j in range(N): for yi in range(nelem): @@ -84,6 +117,7 @@ class Scattering(object): leftmatrix[j,1,yj,i,1,yi] = a leftmatrix[j,0,yj,i,1,yi] = b leftmatrix[j,1,yj,i,0,yi] = b + _time_e(sbtime, verbose, step = 'Calculating interparticle translation coefficients') # at this point, leftmatrix is the translation matrix n2id = np.identity(2*nelem) n2id.shape = (2,nelem,2,nelem) @@ -94,8 +128,13 @@ class Scattering(object): # now we are done, 1-MT leftmatrix.shape=(N*2*nelem,N*2*nelem) self.interaction_matrix = leftmatrix + _time_e(btime, verbose) + + def scatter(self, pq_0, verbose = False): + pass def scatter_constmultipole(self, pq_0_c, verbose = False): + btime = _time_b(verbose) N = self.N self.prepare(verbose=verbose) nelem = self.nelem @@ -111,8 +150,9 @@ class Scattering(object): for j in range(N): MP_0[j] = np.tensordot(self.TMatrices[j], pq_0[j],axes=([-2,-1],[-2,-1])) MP_0.shape = (N*2*nelem,) - a[N_or_M,yy] = scipy.linalg.lu_solve(lupiv,MP_0) + ab[N_or_M,yy] = scipy.linalg.lu_solve(self.lupiv,MP_0) ab.shape = (2,nelem,N,2,nelem) + _time_e(btime, verbose) return ab class Scattering_lattice(Scattering): diff --git a/setup.py b/setup.py index cb3370d..ab8e9b5 100644 --- a/setup.py +++ b/setup.py @@ -12,7 +12,7 @@ qpms_c = Extension('qpms_c', sources = ['qpms/qpms_c.pyx']) setup(name='qpms', - version = "0.1.6", + version = "0.1.7", packages=['qpms'], # setup_requires=['setuptools_cython'], install_requires=['cython>=0.21','quaternion','spherical_functions','py_gmm'],