lattices: Basic stuff fixed, measuring time

Former-commit-id: 7019be9053b601e266eeddafdd859f6339313df7

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):

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'],