Bug fixes mostly in lattice generators.

Former-commit-id: 1fbed5865f20b7191b31fe24d263bd16baca7fa7

qpms/latticegens.c

@@ -10,7 +10,7 @@ PGenPolReturnData PGen_next_pol_from_cart2(PGen *g) {
     return PGenPolDoneVal;
   else {
     PGenPolReturnData p;
-    p.flags = c.flags;
+    p.flags = (c.flags & ~QPMS_COORDS_BITRANGE) | QPMS_COORDS_POL;
     p.point_pol = cart2pol(c.point_cart2);
     return p;
   }
@@ -22,7 +22,7 @@ PGenCart2ReturnData PGen_next_cart2_from_pol(PGen *g) {
     return PGenCart2DoneVal;
   else {
     PGenCart2ReturnData c;
-    c.flags = p.flags;
+    c.flags = (p.flags & ~QPMS_COORDS_BITRANGE) | QPMS_COORDS_CART2;
     c.point_cart2 = pol2cart(p.point_pol);
     return c;
   }
@@ -34,7 +34,7 @@ PGenSphReturnData PGen_next_sph_from_cart3(PGen *g) {
     return PGenSphDoneVal;
   else {
     PGenSphReturnData s;
-    s.flags = c.flags;
+    s.flags = (c.flags & ~QPMS_COORDS_BITRANGE) | QPMS_COORDS_SPH;
     s.point_sph = cart2sph(c.point_cart3);
     return s;
   }
@@ -46,7 +46,7 @@ PGenCart3ReturnData PGen_next_cart3_from_cart2xy(PGen *g) {
     return PGenCart3DoneVal;
   else {
     PGenCart3ReturnData c3;
-    c3.flags = c2.flags;
+    c3.flags = (c2.flags & ~QPMS_COORDS_BITRANGE) | QPMS_COORDS_CART3;
     c3.point_cart3 = cart22cart3xy(c2.point_cart2);
     return c3;
   }
@@ -58,7 +58,7 @@ PGenSphReturnData PGen_next_sph_from_cart2(PGen *g) {
     return PGenSphDoneVal;
   else {
     PGenSphReturnData s;
-    s.flags = c.flags;
+    s.flags = (c.flags & ~QPMS_COORDS_BITRANGE) | QPMS_COORDS_SPH;
     s.point_sph = cart22sph(c.point_cart2);
     return s;
   }
@@ -70,7 +70,7 @@ PGenCart3ReturnData PGen_next_cart3_from_sph(PGen *g) {
     return PGenCart3DoneVal;
   else {
     PGenCart3ReturnData c;
-    c.flags = s.flags;
+    c.flags = (s.flags & ~QPMS_COORDS_BITRANGE) | QPMS_COORDS_CART3;
     c.point_cart3 = sph2cart(s.point_sph);
     return c;
   }
@@ -569,13 +569,13 @@ const PGenClassInfo PGen_xyWeb = {
   "PGen_xyWeb",
   2,
   PGEN_COORDS_CART2,
-  NULL,//PGen_xyWeb_next,
+  NULL,//PGen_xyWeb_next, // FIXME I should really implement this.
   NULL,//PGen_xyWeb_next_z,
   PGen_next_pol_from_cart2, //NULL,//PGen_xyWeb_next_pol,
   PGen_next_sph_from_cart2, //NULL,//PGen_xyWeb_next_sph,
   PGen_xyWeb_next_cart2, // native
   PGen_next_cart3_from_cart2xy, //NULL,//PGen_xyWeb_next_cart3,
-  NULL,//PGen_xyWeb_fetch,
+  NULL,//PGen_xyWeb_fetch, // FIXME I should really implement this
   NULL,//PGen_xyWeb_fetch_z,
   NULL,//PGen_xyWeb_fetch_pol,
   NULL,//PGen_xyWeb_fetch_sph,

qpms/lattices2d.c

@@ -907,7 +907,7 @@ size_t qpms_emptylattice2_modes_maxfreq(double **target_freqs,
   QPMS_CRASHING_MALLOC(Kpoints, sizeof(cart2_t) * capacity);
   PGen Kgen = PGen_xyWeb_new(b1, b2, rtol, k, 0, true, maxk_safe, true);
 
-  size_t generated;
+  size_t generated = 0;
   PGenReturnDataBulk rd;
   while((rd = PGen_fetch_cart2(&Kgen, capacity - generated, Kpoints + generated)).flags & PGEN_NOTDONE)
     generated += rd.generated;

qpms/qpms_cdefs.pxd

@@ -199,6 +199,16 @@ cdef extern from "lattices.h":
         PGenClassInfo* c
         void *statedata
     void PGen_destroy(PGen *g)
+    
+    int l2d_reciprocalBasis2pi(cart2_t b1, cart2_t b2, cart2_t *rb1, cart2_t *rb2);
+    double l2d_unitcell_area(cart2_t b1, cart2_t b2)
+    void l2d_reduceBasis(cart2_t in1, cart2_t in2, cart2_t *out1, cart2_t *out2)
+
+    const double BASIS_RTOL
+    size_t qpms_emptylattice2_modes_maxfreq(double **target_freqs, cart2_t b1_rec, cart2_t b2_rec,
+            double rtol, cart2_t k, double wave_speed, double maxomega)
+    void qpms_emptylattice2_modes_nearest(double *target_freqs, cart2_t b1_rec, cart2_t b2_rec,
+            double rtol, cart2_t k, double wave_speed, double omega)
 
     # now the individual PGen implementations:
     # FIXME Is bint always guaranteed to be equivalent to _Bool? (I dont't think so.)
@@ -211,10 +221,9 @@ cdef extern from "lattices.h":
             double maxR, bint inc_maxR, PGen_1D_incrementDirection incdir)
     int qpms_reduce_lattice_basis(double *b, size_t bsize, size_t ndim, double delta)
 
-    size_t qpms_emptylattice2_modes_maxfreq(double **target_freqs, cart2_t b1_rec, cart2_t b2_rec,
-            double rtol, cart2_t k, double wave_speed, double maxomega)
-    size_t qpms_emptylattice2_modes_nearest(double *target_freqs, cart2_t b1_rec, cart2_t b2_rec,
-            double rtol, cart2_t k, double wave_speed, double omega)
+cdef extern from "vectors.h":
+    cart2_t cart2_substract(cart2_t a, cart2_t b)
+    cart2_t cart2_scale(const double c, cart2_t b)
 
 
 cdef extern from "quaternions.h":

qpms/vectors.h

@@ -708,6 +708,7 @@ static inline void qpms_array_coord_transform(void *dest, qpms_coord_system_t td
 /** The dest and src arrays must not overlap */
 static inline void anycoord_arr2something(void *dest, qpms_coord_system_t tdest,
 		const anycoord_point_t *src, qpms_coord_system_t tsrc, size_t nmemb) {
+  if(nmemb) {
 	switch(tdest & QPMS_COORDS_BITRANGE) {
 		case QPMS_COORDS_SPH: 
 			{
@@ -833,6 +834,7 @@ static inline void anycoord_arr2something(void *dest, qpms_coord_system_t tdest,
 			break;
 	}
 	QPMS_WTF;
+  }
 }