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Avoid tmgen multiplicities (->slowdown) in ScatteringSystem constructor 

Former-commit-id: 438ba0667e36a7c51b2ac5fe58cf62fea17eb132
This commit is contained in:
Marek Nečada 2020-01-28 21:28:07 +02:00
parent c11fe19af3
commit daf95e799a
1 changed files with 3 additions and 2 deletions
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5
qpms/qpms_c.pyx
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@ -369,7 +369,8 @@ cdef class ScatteringSystem:
for p in particles: # find and enumerate unique t-matrix generators for p in particles: # find and enumerate unique t-matrix generators
if p.p.op.typ != QPMS_TMATRIX_OPERATION_NOOP: if p.p.op.typ != QPMS_TMATRIX_OPERATION_NOOP:
raise NotImplementedError("currently, only no-op T-matrix operations are allowed in ScatteringSystem constructor") raise NotImplementedError("currently, only no-op T-matrix operations are allowed in ScatteringSystem constructor")
tmg_key = id(p.f) #tmg_key = id(p.f) # This causes a different generator for each particle -> SUPER SLOW
tmg_key = (id(p.f.generator), id(p.f.spec))
if tmg_key not in tmgindices: if tmg_key not in tmgindices:
tmgindices[tmg_key] = tmg_count tmgindices[tmg_key] = tmg_count
tmgobjs.append(p.f) # Save the references on BaseSpecs and TMatrixGenerators (via TMatrixFunctions) tmgobjs.append(p.f) # Save the references on BaseSpecs and TMatrixGenerators (via TMatrixFunctions)
@ -401,7 +402,7 @@ cdef class ScatteringSystem:
orig.tm[tmi].op = qpms_tmatrix_operation_noop # TODO adjust when notrivial operations allowed orig.tm[tmi].op = qpms_tmatrix_operation_noop # TODO adjust when notrivial operations allowed
for pi in range(p_count): for pi in range(p_count):
p = particles[pi] p = particles[pi]
tmg_key = id(p.f) tmg_key = (id(p.f.generator), id(p.f.spec))
tm_derived_key = (tmg_key, None) # TODO unique representation of p.p.op instead of None tm_derived_key = (tmg_key, None) # TODO unique representation of p.p.op instead of None
orig.p[pi].pos = p.cval().pos orig.p[pi].pos = p.cval().pos
orig.p[pi].tmatrix_id = tmindices[tm_derived_key] orig.p[pi].tmatrix_id = tmindices[tm_derived_key]