BaseSpec __eq__() and __hash__()

Former-commit-id: da4245315207dc75a70ca6a036fb8be17e243bf9

qpms/cybspec.pyx

@@ -83,6 +83,12 @@ cdef class BaseSpec:
                 raise ValueError # If this happens, it's probably a bug, as it should have failed already at qpms_uvswfi2tmn
             self.s.lMax = max(self.s.lMax, l)
 
+    def __eq__(self, BaseSpec other):
+        return bool(qpms_vswf_set_spec_isidentical(&self.s, &other.s))
+
+    def __hash__(self): # Very inefficient implementation, but this is not to be used very often
+        return hash((self.s.norm, self.s.n, tuple(self.__ilist[:self.s.n])))
+
     def tlm(self):
         cdef const qpms_uvswfi_t[:] ilist_memview = <qpms_uvswfi_t[:self.s.n]> self.s.ilist
         #cdef qpms_vswf_type_t[:] t = np.empty(shape=(self.s.n,), dtype=qpms_vswf_type_t) # does not work, workaround:

qpms/qpms_cdefs.pxd

@@ -172,6 +172,7 @@ ctypedef union qpms_incfield_planewave_params_E:
     csphvec_t sph
 
 cdef extern from "vswf.h":
+    bint qpms_vswf_set_spec_isidentical(const qpms_vswf_set_spec_t *a, const qpms_vswf_set_spec_t *b)
     ctypedef qpms_errno_t (*qpms_incfield_t)(cdouble *target, const qpms_vswf_set_spec_t *bspec,
             const cart3_t evalpoint, const void *args, bint add)
     ctypedef struct qpms_incfield_planewave_params_t:

qpms/vswf.c

@@ -55,6 +55,7 @@ qpms_errno_t qpms_vswf_set_spec_append(qpms_vswf_set_spec_t *s, const qpms_uvswf
 bool qpms_vswf_set_spec_isidentical(const qpms_vswf_set_spec_t *a,
                     const qpms_vswf_set_spec_t *b) {
   if (a == b) return true;
+  if (a->norm != b->norm) return false;
   if (a->n != b->n) return false;
   for (size_t i = 0; i < a->n; ++i)
     if (a->ilist[i] != b->ilist[i])