Some cpython extern declarations / typedefs.
Towards accessing the ewald summation functions from python. Former-commit-id: e384cbf2194f2d51357266ac345bfeace7e02b9f
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@ -8,6 +8,80 @@ from cython.parallel cimport parallel, prange
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#cimport openmp
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#openmp.omp_set_dynamic(1)
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#cdef extern from "stdbool.h":
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# TODO put the declarations / cdef extern parts to a .pxd file
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cdef extern from "qpms_types.h":
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cdef struct cart3_t:
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double x
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double y
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double z
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cdef struct cart2_t:
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double x
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double y
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cdef struct sph_t:
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double r
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double theta
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double phi
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cdef struct pol_t:
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double r
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double phi
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cdef union anycoord_point_t:
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double z
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cart3_t cart3
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cart2_t cart2
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pol_t pol
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ctypedef enum qpms_normalisation_t:
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QPMS_NORMALISATION_XU
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QPMS_NORMALISATION_XU_CS
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QPMS_NORMALISATION_NONE
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QPMS_NORMALISATION_NONE_CS
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QPMS_NORMALISATION_KRISTENSSON
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QPMS_NORMALISATION_KRISTENSSON_CS
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QPMS_NORMALISATION_POWER
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QPMS_NORMALISATION_POWER_CS
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QPMS_NORMALISATION_TAYLOR
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QPMS_NORMALISATION_TAYLOR_CS
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QPMS_NORMALISATION_SPHARM
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QPMS_NORMALISATION_SPHARM_CS
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QPMS_NORMALISATION_UNDEF
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# maybe more if needed
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# Point generators from lattices.h
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cdef extern from "lattices.h":
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ctypedef enum PGenPointFlags:
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pass
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struct PGenReturnData:
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pass
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struct PGenZReturnData:
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pass
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struct PGenPolReturnData:
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pass
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struct PGenSphReturnData:
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pass
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struct PGenCart2ReturnData:
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pass
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struct PGenCart3ReturnData:
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pass
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struct PGenClassInfo: # maybe important
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pass
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struct PGen: # probably important
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PGenClassInfo* c
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void *statedata
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void PGen_destroy(PGen *g)
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# now the individual PGen implementations:
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# FIXME Is bint always guaranteed to be equivalent to _Bool? (I dont't think so.)
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PGen PGen_xyWeb_new(cart2_t b1, cart2_t b2, double rtol, cart2_t offset,
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double minR, bint inc_minR, double maxR, bint inc_maxR)
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ctypedef enum PGen_1D_incrementDirection:
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PGEN_1D_INC_FROM_ORIGIN
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PGEN_1D_INC_TOWARDS_ORIGIN
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PGen PGen_1D_new_minMaxR(double period, double offset, double minR, bint inc_minR,
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double maxR, bint inc_maxR, PGen_1D_incrementDirection incdir)
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## Auxillary function for retrieving the "meshgrid-like" indices; inc. nmax
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@cython.boundscheck(False)
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def get_mn_y(int nmax):
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