WIP generate 3D lattices
Former-commit-id: 16c6f7779db68a3169dbc77a6adb9ffdd6ad374a
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Marek Nečada
parent
658c564a0c
commit
08b8a1a315
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@ -585,3 +585,170 @@ const PGenClassInfo PGen_xyWeb = {
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};
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//==== PGen_xyzWeb ====
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// 3D lattice generator in the "spiderweb" style, generated in the "perimetre" order,
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// not strictly ordered (or limited) by distance from origin.
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// The minR and maxR here refer to the TODO WWHAT
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extern const PGenClassInfo PGen_xyzWeb; // forward declaration needed by constructor (may be placed in header file instead)
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// Internal state structure
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typedef struct PGen_xyzWeb_StateData {
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long i[6]; // real size given by nsteps
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unsigned short phase; // 0 to 5
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long layer;
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long last_layer; // generation stops when layer > last_layer
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double layer_min_height; // this * layer is what minR and maxR are compared to
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double minR, maxR;
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bool inc_minR, inc_maxR;
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cart3_t b[3]; // lattice vectors (TODO needed?)
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cart3_t steps[6]; // generated by l3d_shortestBase356
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int nsteps; // real size of steps (3, 5, or 6), depending on lattice type
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cart3_t offset; // offset of the zeroth lattice point from origin (TODO will be normalised to the WS cell)
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// TODO type rectangular vs. triangular
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LatticeFlags lf;
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} PGen_xyzWeb_StateData;
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// Constructor
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PGen PGen_xyzWeb_new(const cart3_t b[3], double rtol, cart2_t offset, double minR, bool inc_minR, double maxR, bool inc_maxR) {
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PGen_xyzWeb_StateData *s = calloc(1, sizeof(PGen_xyzWeb_StateData));
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s->minR = minR; s->maxR = maxR;
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s->inc_minR = inc_minR;
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s->inc_maxR = inc_maxR;
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l3d_reduceBasis(b, &(s->b));
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s->nsteps = l3d_shortestBase356(s->b, s->steps);
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s->offset = offset; // TODO shorten into the WS cell ?
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s->lf = l3d_detectRightAnles(s->b, rtol);
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s->layer_min_height = l3d_inSphereRadius(s->b);
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s->layer = ceil(s->minR/s->layer_min_height);
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if(!inc_minR && (s->layer * s->layer_min_height) <= minR)
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++(s->layer);
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s->i = s->layer; s->j = 0; s->phase = 0; // init indices
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s->last_layer = floor(s->maxR/s->layer_min_height);
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if(!inc_maxR && (s->last_layer * s->layer_min_height) >= maxR)
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--(s->last_layer);
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PGen g = {&PGen_xyzWeb, (void *) s};
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return g;
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}
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// Destructor
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void PGen_xyzWeb_destructor(PGen *g) {
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free(g->stateData);
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g->stateData = NULL;
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}
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// Extractor (3D cartesian, native)
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PGenCart3ReturnData PGen_xyzWeb_next_cart3(PGen *g) {
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if (g->stateData == NULL) // already destroyed
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return PGenCart2DoneVal;
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else {
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PGen_xyzWeb_StateData * const s = (PGen_xyzWeb_StateData *) g->stateData;
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assert(s->layer >= 0);
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if (s->layer <= s->last_layer) {
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const cart2_t thePoint = cart2_add(s->offset,
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cart2_add(cart2_scale(s->i, s->b1), cart2_scale(s->j, s->b2)));
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if(s->layer == 0) { // origin is unique, proceed with next layer
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++s->layer;
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s->phase = 0;
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s->i = s->layer;
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s->j = 0;
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}
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else if(s->lt & (SQUARE | RECTANGULAR)) {
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// rectangular or square lattice, four perimeters
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switch(s->phase) {
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case 0: // initial i = l, j = 0
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--s->i;
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++s->j;
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if(s->i <= 0) ++s->phase;
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break;
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case 1: // initial i = 0, j = l
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--s->i;
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--s->j;
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if(s->j <= 0) ++s->phase;
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break;
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case 2: // initial i = -l, j = 0
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++s->i;
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--s->j;
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if(s->i >= 0) ++s->phase;
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break;
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case 3: // initial i = 0, j = -l
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++s->i;
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++s->j;
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if(s->j >= 0) ++s->phase;
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break;
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default:
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abort();
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}
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if(s->phase == 4) { // phase overflow, start new layer
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++s->layer;
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s->phase = 0;
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s->i = s->layer;
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s->j = 0;
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}
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} else { // non-rectangular lattice, six perimeters
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switch(s->phase) {
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case 0:
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--s->i;
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++s->j;
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if(s->i <= 0) ++s->phase;
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break;
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case 1:
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--s->i;
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if(s->i + s->j <= 0) ++s->phase;
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break;
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case 2:
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--s->j;
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if(s->j <= 0) ++s->phase;
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break;
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case 3:
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++s->i;
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--s->j;
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if(s->i >= 0) ++s->phase;
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break;
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case 4:
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++s->i;
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if(s->i + s->j >= 0) ++s->phase;
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break;
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case 5:
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++s->j;
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if(s->j >= 0) ++s->phase;
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break;
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default:
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abort();
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}
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if(s->phase == 6) { // phase overflow, start next layer
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++s->layer;
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s->phase = 0;
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s->i = s->layer;
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s->j = 0;
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}
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}
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PGenCart2ReturnData retval = {(PGEN_NOTDONE | PGEN_AT_XY | PGEN_COORDS_CART2), thePoint};
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return retval;
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} else {
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PGen_destroy(g);
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return PGenCart2DoneVal;
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}
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}
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}
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// Class metadata structure; TODO maybe this can rather be done by macro.
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const PGenClassInfo PGen_xyzWeb = {
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"PGen_xyzWeb",
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3,
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PGEN_COORDS_CART3,
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NULL,//PGen_xyzWeb_next,
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NULL,//PGen_xyzWeb_next_z,
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NULL,//PGen_xyzWeb_next_pol,
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PGen_next_sph_from_cart3, //NULL,//PGen_xyzWeb_next_sph,
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NULL,//PGen_xyzWeb_next_cart2,
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PGen_xyzWeb_next_cart3, // native
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NULL,//PGen_xyzWeb_fetch,
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NULL,//PGen_xyzWeb_fetch_z,
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NULL,//PGen_xyzWeb_fetch_pol,
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NULL,//PGen_xyzWeb_fetch_sph,
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NULL,//PGen_xyzWeb_fetch_cart2,
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NULL,//PGen_xyzWeb_fetch_cart3,
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PGen_xyzWeb_destructor
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};
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@ -620,7 +620,11 @@ PGen PGen_1D_new_minMaxR(double period, ///< Distance between points.
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extern const PGenClassInfo PGen_xyWeb;
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PGen PGen_xyWeb_new(cart2_t b1, cart2_t b2, double rtol, cart2_t offset,
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PGen PGen_xyWeb_new(cart2_t b1, cart2_t b2, double orthogonality_rtol, cart2_t offset,
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double minR, bool inc_minR, double maxR, bool inc_maxR);
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extern const PGenClassInfo PGen_xyzWeb;
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PGen PGen_xyzWeb_new(const cart3_t basis[3], double orthogonality_rtol, cart3_t offset,
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double minR, bool inc_minR, double maxR, bool inc_maxR);
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@ -691,6 +695,8 @@ int l2d_shortestBase46(cart2_t i1, cart2_t i2, cart2_t *o1, cart2_t *o2, cart2_
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// variant
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int l2d_shortestBase46_arr(cart2_t i1, cart2_t i2, cart2_t *oarr, double rtol);
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int l3d_shortestBase356(const cart3_t basis[3], cart3_t shortest356[6], double rtol);
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// Determines whether angle between inputs is obtuse
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bool l2d_is_obtuse_r(cart2_t i1, cart2_t i2, double rtol);
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bool l2d_is_obtuse(cart2_t i1, cart2_t i2);
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@ -729,6 +735,8 @@ double l2d_unitcell_area(cart2_t b1, cart2_t b2);
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// returns the radius of inscribed circle of a hexagon (or rectangle/square if applicable) created by the shortest base triple
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double l2d_hexWebInCircleRadius(cart2_t b1, cart2_t b2);
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double l3d_inSphereRadius(const cart3_t b[3]);
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/*
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* THE MORE OR LESS OK PART
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* ========================
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