846 lines
28 KiB
C
846 lines
28 KiB
C
/*! \file lattices.h
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* \brief Lattice point generators and lattice vector analysis / transformation.
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*
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*/
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#ifndef LATTICES_H
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#define LATTICES_H
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#include <math.h>
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#include <stdbool.h>
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#include <assert.h>
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#include <stddef.h>
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#include <stdlib.h>
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#ifndef M_SQRT3
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#define M_SQRT3 1.7320508075688772935274463415058724
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#endif
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#ifndef M_SQRT3_2
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#define M_SQRT3_2 (M_SQRT3/2)
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#endif
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#ifndef M_1_SQRT3
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#define M_1_SQRT3 0.57735026918962576450914878050195746
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#endif
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/* IMPORTANT TODO
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* ==============
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*
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* The current content of this part (and the implementation) is extremely ugly.
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* When I have some time, I have to rewrite this in the style of lattices2d.py
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*
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*/
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typedef enum LatticeDimensionality {
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LAT1D = 1,
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LAT2D = 2,
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LAT3D = 4,
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SPACE1D = 8,
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SPACE2D = 16,
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SPACE3D = 32,
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LAT_1D_IN_3D = 33,
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LAT_2D_IN_3D = 34,
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LAT_3D_IN_3D = 40,
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// special coordinate arrangements (indicating possible optimisations)
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LAT_ZONLY = 64,
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LAT_XYONLY = 128,
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LAT_1D_IN_3D_ZONLY = 97, // LAT1D | SPACE3D | 64
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LAT_2D_IN_3D_XYONLY = 162 // LAT2D | SPACE3D | 128
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} LatticeDimensionality;
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inline static bool LatticeDimensionality_checkflags(
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LatticeDimensionality a, LatticeDimensionality flags_a_has_to_contain) {
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return ((a & flags_a_has_to_contain) == flags_a_has_to_contain);
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}
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// fuck, I already had had suitable type
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#include "vectors.h"
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typedef cart2_t point2d;
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static inline point2d point2d_fromxy(const double x, const double y) {
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point2d p;
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p.x = x;
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p.y = y;
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return p;
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}
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/// Generic lattice point generator type.
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/**
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* A bit of OOP-in-C brainfuck here.
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*
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* The basic principle of operation is following:
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* Instead of a list (array) of points, an initialized PGen object
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* is passed to a function that does something over a set of points.
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* Each time PGen-type object is "called" (more specifically, one of
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* the "methods" specified in the PGenClassInfo structure in @ref c,
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* it returns PGenReturnData
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* which contains a point in given coordinates (depending on the generator
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* class) and some metadata.
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*
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* After the last generated point, the generator frees all internal memory
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* and returns PGenSphReturnData with PGEN_NOTDONE flag unset (the rest
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* shall be considered invalid data).
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* The caller can also decide not to use the rest and end getting the points
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* even when the PGEN_NOTDONE was set in the last returned data.
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* In such case, the caller shall call PGen_destroy() manually.
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*
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* Methods
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* -------
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*
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* The standard wrapper "methods" to generate a single point in a given
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* coordinate system are
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*
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* * PGen_next_z(),
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* * PGen_next_cart2(),
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* * PGen_next_cart3(),
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* * PGen_next_pol(),
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* * PGen_next_sph().
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*
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* Memory management policy
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* ------------------------
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*
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* The basic PGen structure shall be allocated on stack (it's only two pointers),
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* everything internal goes on heap.
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*/
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typedef struct PGen {
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/// Pointer to the "class" metadata defining the behaviour of the generator.
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const struct PGenClassInfo * /*const*/ c;
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/// Pointer to internal state data; shall be NULL if invalid (destroyed);
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void *stateData;
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} PGen;
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typedef enum PGenPointFlags {
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/** The most important flag: when this is not set, the
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* interation ended – other data returned should be
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* considered nonsense and at this point, the generator
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* should have de-allocated all internal memory.
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*/
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PGEN_NOTDONE = 2,
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/** Set if the r-coordinate is not different than in the
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* previous generated point (so radial parts of the
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* calculation have to be redone).
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* Optional.
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*/
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PGEN_OLD_R = 1,
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/** Set if the r-coordinate has not changed between the
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* first and the last point generated in the current
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* call.
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* Only for the bulk generator methods.
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* Optional.
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*/
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PGEN_SINGLE_R = 16,
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PGEN_AT_Z = 4, ///< Set if the point(s) lie(s) at the z-axis (theta is either 0 or M_PI).
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PGEN_AT_XY = 8, ///< Set if the point(s) lie(s) in the xy-plane (theta is M_PI2).
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PGEN_METHOD_UNAVAILABLE = 2048, ///< Set if no suitable method exists (no point generated).
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PGEN_DONE = 0, ///< Convenience identifier, not an actual flag.
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PGEN_COORDS_CART1 = QPMS_COORDS_CART1,
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PGEN_COORDS_CART2 = QPMS_COORDS_CART2,
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PGEN_COORDS_CART3 = QPMS_COORDS_CART3,
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PGEN_COORDS_POL = QPMS_COORDS_POL,
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PGEN_COORDS_SPH = QPMS_COORDS_SPH,
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PGEN_COORDS_BITRANGE = QPMS_COORDS_BITRANGE,
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} PGenPointFlags;
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/// Metadata generated by the fetch*() methods from PGenClassInfo
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typedef struct PGenReturnDataBulk {
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/// Flags describing the returned data.
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PGenPointFlags flags;
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size_t generated; ///< Number of points really generated
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} PGenReturnDataBulk;
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/// Generic PGen return type that might contain point represented in any of the supported coordinate systems.
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typedef struct PGenReturnData {
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PGenPointFlags flags; ///< Metadata, must contain valid coordinate system defining flags.
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anycoord_point_t point; ///< Generated point in a coordinate system defined by flags.
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} PGenReturnData;
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/// PGen single-point return data type (1D).
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typedef struct PGenZReturnData {
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PGenPointFlags flags; ///< Medatata.
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double point_z; ///< Generated point on a real axis.
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} PGenZReturnData;
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/// PGen single-point return data type (2D, polar coordinates).
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typedef struct PGenPolReturnData {
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PGenPointFlags flags; ///< Metadata.
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pol_t point_pol; ///< Generated point in polar coordinates.
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} PGenPolReturnData;
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/// PGen single-point return data type (3D, spherical coordinates).
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typedef struct PGenSphReturnData {
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PGenPointFlags flags; ///< Metadata.
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sph_t point_sph; ///< Generated point in spherical coordinates.
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} PGenSphReturnData;
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/// PGen single-point return data type (2D, cartesian coordinates).
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typedef struct PGenCart2ReturnData {
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PGenPointFlags flags; ///< Metadata.
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cart2_t point_cart2; ///< Generated point in cartesian coordinates.
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} PGenCart2ReturnData;
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/// PGen single-point return data type (3D, cartesian coordinates).
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typedef struct PGenCart3ReturnData {
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PGenPointFlags flags; ///< Metadata.
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cart3_t point_cart3; ///< Generated point in cartesian coordinates.
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} PGenCart3ReturnData;
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// convenience constants for use in the extractor implementations
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static const PGenZReturnData PGenZDoneVal = {PGEN_DONE, 0};
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static const PGenPolReturnData PGenPolDoneVal = {PGEN_DONE, {0,0}};
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static const PGenSphReturnData PGenSphDoneVal = {PGEN_DONE, {0,0,0}};
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static const PGenCart2ReturnData PGenCart2DoneVal = {PGEN_DONE, {0,0}};
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static const PGenCart3ReturnData PGenCart3DoneVal = {PGEN_DONE, {0,0,0}};
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/// PGen class metadata.
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/**
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* This structure determines the behaviour of the PGen
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* instance pointing to it.
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*
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* For generating a single point, use the next() method.
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* For generating up to N points in a single call, use the
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* fetch() method.
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*
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* It is strongly recommended that at least the native-coordinate
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* fetch method and the native-coordinate next method are implemented.
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*
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* Usually, each generator uses internally one "native" coordinate
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* system (in lattice generators, this will typically be nD
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* cartesian coordinates) in which the next() method gives its result.
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*
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* One does not have to explicitly implement every single method.
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*
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* TODO doc about the default transformations etc.
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*/
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typedef struct PGenClassInfo { // static PGenSph info
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char * const name; // mainly for debugging purposes
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int dimensionality; // lower-dimensional can be converted to higher-D, not vice versa; bit redundant with the following, whatever.
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/// Info about the generator native coordinate system.
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PGenPointFlags native_point_flags;
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/// Generate a single point in the native coordinates.
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PGenReturnData (*next)(struct PGen *);
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/// Generate a single 1D point.
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PGenZReturnData (*next_z)(struct PGen *);
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/// Generate a single 2D point in polar coordinates.
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PGenPolReturnData (*next_pol)(struct PGen *);
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/// Generate a single 3D point in spherical coordinates.
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PGenSphReturnData (*next_sph)(struct PGen *);
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/// Generate a single 2D point in cartesian coordinates.
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PGenCart2ReturnData (*next_cart2)(struct PGen *);
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/// Generate a single 3D point in cartesian coordinates.
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PGenCart3ReturnData (*next_cart3)(struct PGen *);
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/// Generate up to \a n points in the native coordinates.
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PGenReturnDataBulk (*fetch)(struct PGen *, size_t, anycoord_point_t *);
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/// Generate up to \a n 1D points.
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PGenReturnDataBulk (*fetch_z)(struct PGen *, size_t, double *);
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/// Generate up to \a n 2D points in polar coordinates.
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PGenReturnDataBulk (*fetch_pol)(struct PGen *, size_t, pol_t *);
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/// Generate up to \a n 3D points in spherical coordinates.
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PGenReturnDataBulk (*fetch_sph)(struct PGen *, size_t, sph_t *);
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/// Generate up to \a n 2D points in cartesian coordinates.
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PGenReturnDataBulk (*fetch_cart2)(struct PGen *, size_t, cart2_t *);
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/// Generate up to \a n 3D points in cartesian coordinates.
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PGenReturnDataBulk (*fetch_cart3)(struct PGen *, size_t, cart3_t *);
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/// Destructor.
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/** To be called by next() at iteration end, or by the caller
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* if ending the generation prematurely
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*/
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void (*destructor)(struct PGen *);
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} PGenClassInfo;
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/// Generate a point with any of the next-methods.
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static inline PGenReturnData PGen_next_nf(struct PGen *g) {
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if (g->c->next)
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return g->c->next(g);
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else {
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PGenReturnData r;
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if (g->c->next_z) {
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PGenZReturnData res = g->c->next_z(g);
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r.flags = res.flags;
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r.point.z = res.point_z;
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} else if (g->c->next_pol) {
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PGenPolReturnData res = g->c->next_pol(g);
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r.flags = res.flags;
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r.point.pol = res.point_pol;
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} else if (g->c->next_cart2) {
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PGenCart2ReturnData res = g->c->next_cart2(g);
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r.flags = res.flags;
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r.point.cart2 = res.point_cart2;
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} else if (g->c->next_sph) {
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PGenSphReturnData res = g->c->next_sph(g);
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r.flags = res.flags;
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r.point.sph = res.point_sph;
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} else if (g->c->next_cart3) {
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PGenCart3ReturnData res = g->c->next_cart3(g);
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r.flags = res.flags;
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r.point.cart3 = res.point_cart3;
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} else
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r.flags = PGEN_METHOD_UNAVAILABLE;
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return r;
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}
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}
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/// Generate multiple points with PGen in any coordinate system.
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// Ultimate ugliness
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static inline PGenReturnDataBulk PGen_fetch_any(struct PGen *g, size_t nmemb,
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anycoord_point_t *target) {
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if (g->c->fetch)
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return g->c->fetch(g, nmemb, target);
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else if (g->c->fetch_cart3) {
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cart3_t *t2 = (cart3_t*) ((char *) target
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+ nmemb * (sizeof(anycoord_point_t)-sizeof(cart3_t)));
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PGenReturnDataBulk res = g->c->fetch_cart3(g, nmemb, t2);
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for (size_t i = 0; i < nmemb; ++i)
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target[i].cart3 = t2[i];
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return res;
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} else if (g->c->fetch_sph) {
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sph_t *t2 = (sph_t*) ((char *) target
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+ nmemb * (sizeof(anycoord_point_t)-sizeof(sph_t)));
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PGenReturnDataBulk res = g->c->fetch_sph(g, nmemb, t2);
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for (size_t i = 0; i < nmemb; ++i)
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target[i].sph = t2[i];
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return res;
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} else if (g->c->fetch_cart2) {
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cart2_t *t2 = (cart2_t*) ((char *) target
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+ nmemb * (sizeof(anycoord_point_t)-sizeof(cart2_t)));
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PGenReturnDataBulk res = g->c->fetch_cart2(g, nmemb, t2);
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for (size_t i = 0; i < nmemb; ++i)
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target[i].cart2 = t2[i];
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return res;
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} else if (g->c->fetch_pol) {
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pol_t *t2 = (pol_t*) ((char *) target
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+ nmemb * (sizeof(anycoord_point_t)-sizeof(pol_t)));
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PGenReturnDataBulk res = g->c->fetch_pol(g, nmemb, t2);
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for (size_t i = 0; i < nmemb; ++i)
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target[i].pol = t2[i];
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return res;
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} else if (g->c->fetch_z) {
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double *t2 = (double*) ((char *) target
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+ nmemb * (sizeof(anycoord_point_t)-sizeof(double)));
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PGenReturnDataBulk res = g->c->fetch_z(g, nmemb, t2);
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for (size_t i = 0; i < nmemb; ++i)
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target[i].z = t2[i];
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return res;
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} else {
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// This is ridiculously inefficient
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PGenReturnDataBulk res = {PGEN_NOTDONE, 0};
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for (res.generated = 0; res.generated < nmemb;
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++res.generated) {
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PGenReturnData res1 = PGen_next_nf(g);
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QPMS_ENSURE(!(res1.flags & PGEN_METHOD_UNAVAILABLE),
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"No method found to generate points. The PGenClassInfo"
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" %s is apparently broken.", g->c->name);
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if (res1.flags & PGEN_NOTDONE) {
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target[res.generated] = res1.point;
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// The coordinate system generated by next() must be consistent:
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assert(!res.generated || (res1.flags & PGEN_COORDS_BITRANGE == res.flags & PGEN_COORDS_BITRANGE));
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res.flags |= res1.flags & PGEN_COORDS_BITRANGE;
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} else {
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res.flags &= ~PGEN_NOTDONE;
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break;
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}
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}
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// Do not guarantee anything for; low priority TODO
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res.flags &= ~(PGEN_OLD_R & PGEN_SINGLE_R);
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return res;
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}
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}
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/// Generate a point with any of the next-methods or fetch-methods.
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static inline PGenReturnData PGen_next(struct PGen *g) {
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PGenReturnData res = PGen_next_nf(g);
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if (!(res.flags & PGEN_METHOD_UNAVAILABLE))
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return res;
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else { // Slow if implementation is stupid, but short!
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PGenReturnDataBulk resb = PGen_fetch_any(g, 1, &res.point);
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if (resb.generated)
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// the | PGEN_NOTDONE may not be needed, but my brain melted
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res.flags = resb.flags | PGEN_NOTDONE;
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else
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res.flags = PGEN_DONE;
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return res;
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}
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}
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/// Generate multiple points in spherical coordinates.
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static inline PGenReturnDataBulk PGen_fetch_sph(struct PGen *g,
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size_t nmemb, sph_t *target) {
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if (g->c->fetch_sph)
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return g->c->fetch_sph(g, nmemb, target);
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else {
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anycoord_point_t *tmp;
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QPMS_CRASHING_MALLOC(tmp, sizeof(anycoord_point_t) * nmemb);
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PGenReturnDataBulk res = PGen_fetch_any(g, nmemb, tmp);
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anycoord_arr2something(target, QPMS_COORDS_SPH,
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tmp, res.flags, res.generated);
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free(tmp);
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res.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
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| QPMS_COORDS_SPH;
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return res;
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}
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}
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/// Generate multiple points in 3D cartesian coordinates.
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static inline PGenReturnDataBulk PGen_fetch_cart3(struct PGen *g,
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size_t nmemb, cart3_t *target) {
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if (g->c->fetch_cart3)
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return g->c->fetch_cart3(g, nmemb, target);
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else {
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anycoord_point_t *tmp;
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QPMS_CRASHING_MALLOC(tmp, sizeof(anycoord_point_t) * nmemb);
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PGenReturnDataBulk res = PGen_fetch_any(g, nmemb, tmp);
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anycoord_arr2something(target, QPMS_COORDS_CART3,
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tmp, res.flags, res.generated);
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free(tmp);
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res.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
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| QPMS_COORDS_CART3;
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return res;
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}
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}
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/// Generate multiple points in polar coordinates.
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static inline PGenReturnDataBulk PGen_fetch_pol(struct PGen *g,
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size_t nmemb, pol_t *target) {
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if (g->c->fetch_pol)
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return g->c->fetch_pol(g, nmemb, target);
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else {
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anycoord_point_t *tmp;
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QPMS_CRASHING_MALLOC(tmp, sizeof(anycoord_point_t) * nmemb);
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PGenReturnDataBulk res = PGen_fetch_any(g, nmemb, tmp);
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anycoord_arr2something(target, QPMS_COORDS_POL,
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tmp, res.flags, res.generated);
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free(tmp);
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res.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
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| QPMS_COORDS_POL;
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return res;
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}
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}
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/// Generate multiple points in 2D cartesian coordinates.
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static inline PGenReturnDataBulk PGen_fetch_cart2(struct PGen *g,
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size_t nmemb, cart2_t *target) {
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if (g->c->fetch_cart2)
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return g->c->fetch_cart2(g, nmemb, target);
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else {
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anycoord_point_t *tmp;
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QPMS_CRASHING_MALLOC(tmp, sizeof(anycoord_point_t) * nmemb);
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PGenReturnDataBulk res = PGen_fetch_any(g, nmemb, tmp);
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anycoord_arr2something(target, QPMS_COORDS_CART2,
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tmp, res.flags, res.generated);
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free(tmp);
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res.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
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| QPMS_COORDS_CART2;
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return res;
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}
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}
|
||
|
||
/// Generate multiple points in 1D cartesian coordinates.
|
||
static inline PGenReturnDataBulk PGen_fetch_z(struct PGen *g,
|
||
size_t nmemb, double *target) {
|
||
if (g->c->fetch_z)
|
||
return g->c->fetch_z(g, nmemb, target);
|
||
else {
|
||
anycoord_point_t *tmp;
|
||
QPMS_CRASHING_MALLOC(tmp, sizeof(anycoord_point_t) * nmemb);
|
||
PGenReturnDataBulk res = PGen_fetch_any(g, nmemb, tmp);
|
||
anycoord_arr2something(target, QPMS_COORDS_CART1,
|
||
tmp, res.flags, res.generated);
|
||
free(tmp);
|
||
res.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
|
||
| QPMS_COORDS_CART1;
|
||
return res;
|
||
}
|
||
}
|
||
|
||
/// Deallocate and invalidate a PGen point generator.
|
||
static inline void PGen_destroy(PGen *g) {
|
||
g->c->destructor(g);
|
||
assert(g->stateData == NULL); // this should be done by the destructor
|
||
}
|
||
|
||
/// Generate a point in a 1D real space.
|
||
static inline PGenZReturnData PGen_next_z(PGen *g) {
|
||
if (g->c->next_z)
|
||
return g->c->next_z(g);
|
||
else { // Super-slow generic fallback.
|
||
PGenReturnData res = PGen_next(g);
|
||
if (res.flags & PGEN_NOTDONE) {
|
||
PGenZReturnData r;
|
||
r.point_z = anycoord2cart1(res.point, res.flags);
|
||
r.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
|
||
| QPMS_COORDS_CART1;
|
||
return r;
|
||
} else
|
||
return PGenZDoneVal;
|
||
}
|
||
}
|
||
|
||
/// Generate a point in a 3D real space (spherical coordinates).
|
||
static inline PGenSphReturnData PGen_next_sph(PGen *g) {
|
||
if (g->c->next_sph)
|
||
return g->c->next_sph(g);
|
||
else { // Super-slow generic fallback.
|
||
PGenReturnData res = PGen_next(g);
|
||
if (res.flags & PGEN_NOTDONE) {
|
||
PGenSphReturnData r;
|
||
r.point_sph = anycoord2sph(res.point, res.flags);
|
||
r.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
|
||
| QPMS_COORDS_SPH;
|
||
return r;
|
||
} else
|
||
return PGenSphDoneVal;
|
||
}
|
||
}
|
||
|
||
/// Generate a point in a 2D real space (polar coordinates).
|
||
static inline PGenPolReturnData PGen_next_pol(PGen *g) {
|
||
if (g->c->next_pol)
|
||
return g->c->next_pol(g);
|
||
else { // Super-slow generic fallback.
|
||
PGenReturnData res = PGen_next(g);
|
||
if (res.flags & PGEN_NOTDONE) {
|
||
PGenPolReturnData r;
|
||
r.point_pol = anycoord2pol(res.point, res.flags);
|
||
r.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
|
||
| QPMS_COORDS_POL;
|
||
return r;
|
||
} else
|
||
return PGenPolDoneVal;
|
||
}
|
||
}
|
||
|
||
/// Generate a point in a 3D real space (cartesian coordinates).
|
||
static inline PGenCart3ReturnData PGen_next_cart3(PGen *g) {
|
||
if (g->c->next_cart3)
|
||
return g->c->next_cart3(g);
|
||
else { // Super-slow generic fallback.
|
||
PGenReturnData res = PGen_next(g);
|
||
if (res.flags & PGEN_NOTDONE) {
|
||
PGenCart3ReturnData r;
|
||
r.point_cart3 = anycoord2cart3(res.point, res.flags);
|
||
r.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
|
||
| QPMS_COORDS_CART3;
|
||
return r;
|
||
} else
|
||
return PGenCart3DoneVal;
|
||
}
|
||
}
|
||
|
||
/// Ǧenerate a point in a 2D real space (cartesian coordinates).
|
||
static inline PGenCart2ReturnData PGen_next_cart2(PGen *g) {
|
||
if (g->c->next_cart2)
|
||
return g->c->next_cart2(g);
|
||
else { // Super-slow generic fallback.
|
||
PGenReturnData res = PGen_next(g);
|
||
if (res.flags & PGEN_NOTDONE) {
|
||
PGenCart2ReturnData r;
|
||
r.point_cart2 = anycoord2cart2(res.point, res.flags);
|
||
r.flags = (res.flags & ~QPMS_COORDS_BITRANGE)
|
||
| QPMS_COORDS_CART2;
|
||
return r;
|
||
} else
|
||
return PGenCart2DoneVal;
|
||
}
|
||
}
|
||
|
||
#if 0
|
||
/// Generate up to \a n points.
|
||
static inline PGenReturnDataBulk PGen_fetch(PGen *g, size_t n, anycoord_point_t *arr){
|
||
if (g->c->fetch)
|
||
return g->c->fetch(g, n, arr);
|
||
else abort();
|
||
}
|
||
#endif
|
||
|
||
static inline bool PGenSph_notDone(PGenSphReturnData data) {
|
||
return data.flags & PGEN_NOTDONE ? true : false;
|
||
}
|
||
static inline bool PGenCart3_notDone(PGenCart3ReturnData data) {
|
||
return data.flags & PGEN_NOTDONE ? true : false;
|
||
}
|
||
|
||
/// Standard PGen spherical coordinates -> 3d cartesian convertor.
|
||
static inline PGenCart3ReturnData PGenReturnDataConv_sph_cart3(PGenSphReturnData sphdata){
|
||
PGenCart3ReturnData c3data;
|
||
c3data.flags = sphdata.flags;
|
||
c3data.point_cart3 = sph2cart(sphdata.point_sph);
|
||
return c3data;
|
||
}
|
||
|
||
/// Standard PGen 3d cartesian -> spherical coordinates convertor.
|
||
static inline PGenSphReturnData PGenReturnDataConv_cart3_sph(PGenCart3ReturnData c){
|
||
PGenSphReturnData s;
|
||
s.flags = c.flags;
|
||
s.point_sph = cart2sph(c.point_cart3);
|
||
return s;
|
||
}
|
||
|
||
/*
|
||
* Some basic lattice generators implementing the abstract interface above (implemented in latticegens.c).
|
||
*/
|
||
|
||
/// 2D point generator that simply iterates over an existing array of Point2d.
|
||
extern const PGenClassInfo PGen_FromPoint2DArray; // TODO Do I even need this to be declared here?
|
||
/// PGen_FromPoint2DArray constructor.
|
||
PGen PGen_FromPoints2DArray_new(const point2d *points, size_t len);
|
||
|
||
/// 1D equidistant point generator.
|
||
extern const PGenClassInfo PGen_1D;
|
||
typedef enum PGen_1D_incrementDirection{
|
||
//PGEN_1D_POSITIVE_INC, // not implemented
|
||
//PGEN_1D_NEGATIVE_INC, // not implemented
|
||
PGEN_1D_INC_FROM_ORIGIN,
|
||
PGEN_1D_INC_TOWARDS_ORIGIN
|
||
} PGen_1D_incrementDirection;
|
||
/// PGen_1D point generator constructor.
|
||
PGen PGen_1D_new_minMaxR(double period, ///< Distance between points.
|
||
double offset, ///< Lattice offset from zero.
|
||
double minR, ///< Lower bound of |z| of the generated points.
|
||
bool inc_minR, ///< Include also |z| == minR (if applicable).
|
||
double maxR, ///< Upper bound of |z| of the generated points.
|
||
bool inc_maxR, ///< Include also |z| == maxR if applicable.
|
||
PGen_1D_incrementDirection incdir ///< Order of generated points.
|
||
);
|
||
|
||
|
||
extern const PGenClassInfo PGen_xyWeb;
|
||
PGen PGen_xyWeb_new(cart2_t b1, cart2_t b2, double rtol, cart2_t offset,
|
||
double minR, bool inc_minR, double maxR, bool inc_maxR);
|
||
|
||
|
||
/*
|
||
* THE NICE PART (adaptation of lattices2d.py)
|
||
* ===========================================
|
||
*
|
||
* all the functions are prefixed with l2d_
|
||
* convention for argument order: inputs, *outputs, add. params
|
||
*/
|
||
|
||
#define BASIS_RTOL 1e-13
|
||
|
||
// Bravais lattice types
|
||
typedef enum {
|
||
OBLIQUE = 1,
|
||
RECTANGULAR = 2,
|
||
SQUARE = 4,
|
||
RHOMBIC = 5,
|
||
EQUILATERAL_TRIANGULAR = 3,
|
||
RIGHT_ISOSCELES=SQUARE,
|
||
PARALLELOGRAMMIC=OBLIQUE,
|
||
CENTERED_RHOMBIC=RECTANGULAR,
|
||
RIGHT_TRIANGULAR=RECTANGULAR,
|
||
CENTERED_RECTANGULAR=RHOMBIC,
|
||
ISOSCELE_TRIANGULAR=RHOMBIC,
|
||
RIGHT_ISOSCELE_TRIANGULAR=SQUARE,
|
||
HEXAGONAL=EQUILATERAL_TRIANGULAR
|
||
} LatticeType2;
|
||
|
||
#if 0
|
||
// Wallpaper groups
|
||
typedef enum {
|
||
TODO
|
||
} SpaceGroup2;
|
||
#endif
|
||
|
||
/*
|
||
* Lagrange-Gauss reduction of a 2D basis.
|
||
* The output shall satisfy |out1| <= |out2| <= |out2 - out1|
|
||
*/
|
||
void l2d_reduceBasis(cart2_t in1, cart2_t in2, cart2_t *out1, cart2_t *out2);
|
||
|
||
/*
|
||
* This gives the "ordered shortest triple" of base vectors (each pair from the triple
|
||
* is a base) and there may not be obtuse angle between o1, o2 and between o2, o3
|
||
*/
|
||
void l2d_shortestBase3(cart2_t i1, cart2_t i2, cart2_t *o1, cart2_t *o2, cart2_t *o3);
|
||
|
||
/*
|
||
* TODO doc
|
||
* return value is 4 or 6.
|
||
*/
|
||
int l2d_shortestBase46(cart2_t i1, cart2_t i2, cart2_t *o1, cart2_t *o2, cart2_t *o3, cart2_t *o4, cart2_t *o5, cart2_t *o6, double rtol);
|
||
// variant
|
||
int l2d_shortestBase46_arr(cart2_t i1, cart2_t i2, cart2_t *oarr, double rtol);
|
||
|
||
// Determines whether angle between inputs is obtuse
|
||
bool l2d_is_obtuse_r(cart2_t i1, cart2_t i2, double rtol);
|
||
bool l2d_is_obtuse(cart2_t i1, cart2_t i2);
|
||
|
||
/*
|
||
* Given two basis vectors, returns 2D Bravais lattice type.
|
||
*/
|
||
LatticeType2 l2d_classifyLattice(cart2_t b1, cart2_t b2, double rtol);
|
||
|
||
// Other functions in lattices2d.py: TODO?
|
||
// range2D()
|
||
// generateLattice()
|
||
// generateLatticeDisk()
|
||
// cutWS()
|
||
// filledWS()
|
||
// change_basis()
|
||
|
||
/*
|
||
* Given basis vectors, returns the corners of the Wigner-Seits unit cell (W1, W2, -W1, W2)
|
||
* for rectangular and square lattice or (w1, w2, w3, -w1, -w2, -w3) otherwise.
|
||
*/
|
||
int l2d_cellCornersWS(cart2_t i1, cart2_t i2, cart2_t *o1, cart2_t *o2, cart2_t *o3, cart2_t *o4, cart2_t *o5, cart2_t *o6, double rtol);
|
||
// variant
|
||
int l2d_cellCornersWS_arr(cart2_t i1, cart2_t i2, cart2_t *oarr, double rtol);
|
||
|
||
// Reciprocal bases; returns 0 on success, possibly a non-zero if b1 and b2 are parallel
|
||
int l2d_reciprocalBasis1(cart2_t b1, cart2_t b2, cart2_t *rb1, cart2_t *rb2);
|
||
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);
|
||
|
||
// returns the radius of inscribed circle of a hexagon (or rectangle/square if applicable) created by the shortest base triple
|
||
double l2d_hexWebInCircleRadius(cart2_t b1, cart2_t b2);
|
||
|
||
/*
|
||
* THE MORE OR LESS OK PART
|
||
* ========================
|
||
*/
|
||
|
||
/*
|
||
* General set of points ordered by the r-coordinate.
|
||
* Typically, this will include all lattice inside a certain circle.
|
||
* This structure is internally used by the "lattice generators" below.
|
||
* It does not have its memory management of its own, as it is handled
|
||
* by the "generators". For everything except the generators,
|
||
* this structure shall be read-only.
|
||
*/
|
||
typedef struct {
|
||
size_t nrs; // number of different radii
|
||
double *rs; // the radii; of length nrs (largest contained radius == rs[nrs-1])
|
||
point2d *base;
|
||
ptrdiff_t *r_offsets; // of length nrs+1 (using relative offsets due to possible realloc's)
|
||
// the jth point of i-th radius is base[r_offsets[i]+j] or using the inline below..
|
||
/* // redundand (therefore removed) members
|
||
* point2d *points; // redundant as it is the same as points_at_r[0]
|
||
* size_t npoints; // redundant as it is the same as points_at_r[nrs]-points_at_r[0]
|
||
*/
|
||
} points2d_rordered_t;
|
||
|
||
|
||
// sorts arbitrary points and creates points2d_rordered_t
|
||
points2d_rordered_t *points2d_rordered_frompoints(const point2d *orig_base,
|
||
size_t nmemb, double rtol, double atol);
|
||
|
||
// returns a copy but shifted by a constant (actually in a stupid way, but whatever)
|
||
points2d_rordered_t *points2d_rordered_shift(const points2d_rordered_t *orig,
|
||
point2d shift, double rtol, double atol);
|
||
|
||
// returns a copy but scaled by a factor
|
||
points2d_rordered_t *points2d_rordered_scale(const points2d_rordered_t *orig,
|
||
double factor);
|
||
|
||
|
||
/* The destructor: use only for results of
|
||
* - points2D_rordered_frompoints,
|
||
* - points2d_rordered_shift,
|
||
* - points2d_rordered_scale.
|
||
*/
|
||
void points2d_rordered_free(points2d_rordered_t *);
|
||
|
||
static inline point2d points2d_rordered_get_point(const points2d_rordered_t *ps, int r_order, int i) {
|
||
assert(i >= 0);
|
||
assert(r_order < ps->nrs);
|
||
assert(i < (ps->r_offsets[r_order+1] - ps->r_offsets[r_order]));
|
||
return ps->base[ps->r_offsets[r_order] + i];
|
||
}
|
||
|
||
static inline double points2d_rordered_get_r(const points2d_rordered_t *ps, int r_order) {
|
||
assert(r_order < ps->nrs);
|
||
return ps->rs[r_order];
|
||
}
|
||
|
||
|
||
ptrdiff_t points2d_rordered_locate_r(const points2d_rordered_t *, double r);
|
||
|
||
// returns a "view" (does not copy any of the arrays)
|
||
// -- DO NOT FREE orig BEFORE THE END OF SCOPE OF THE RESULT
|
||
points2d_rordered_t points2d_rordered_annulus(const points2d_rordered_t *orig, double minr, bool minr_inc,
|
||
double maxr, bool maxr_inc);
|
||
|
||
|
||
|
||
/*
|
||
* THE UGLY PART
|
||
* =============
|
||
*/
|
||
|
||
/*
|
||
* EQUILATERAL TRIANGULAR LATTICE
|
||
*/
|
||
|
||
typedef enum {
|
||
TRIANGULAR_VERTICAL, // there is a lattice base vector parallel to the y-axis
|
||
TRIANGULAR_HORIZONTAL // there is a lattice base vector parallel to the x-axis
|
||
} TriangularLatticeOrientation;
|
||
|
||
static inline TriangularLatticeOrientation reverseTriangularLatticeOrientation(TriangularLatticeOrientation o){
|
||
switch(o) {
|
||
case TRIANGULAR_VERTICAL:
|
||
return TRIANGULAR_HORIZONTAL;
|
||
break;
|
||
case TRIANGULAR_HORIZONTAL:
|
||
return TRIANGULAR_VERTICAL;
|
||
break;
|
||
default:
|
||
abort();
|
||
}
|
||
abort();
|
||
}
|
||
|
||
// implementation data structures; not needed in the header file
|
||
typedef struct triangular_lattice_gen_privstuff_t triangular_lattice_gen_privstuff_t;
|
||
|
||
typedef struct {
|
||
// public:
|
||
points2d_rordered_t ps;
|
||
TriangularLatticeOrientation orientation;
|
||
double a; // lattice vector length
|
||
|
||
// not sure if needed:
|
||
bool includes_origin;
|
||
|
||
// Denotes an offset of the "origin" point; meaning step hexshift * a / sqrt(2) upwards
|
||
// or leftwards for the horizontal or vertical orientations, respectively.
|
||
int hexshift;
|
||
|
||
// private:
|
||
triangular_lattice_gen_privstuff_t *priv;
|
||
|
||
} triangular_lattice_gen_t;
|
||
|
||
triangular_lattice_gen_t *triangular_lattice_gen_init(double a, TriangularLatticeOrientation ori, bool include_origin,
|
||
int halfoffset);
|
||
const points2d_rordered_t * triangular_lattice_gen_getpoints(const triangular_lattice_gen_t *g);
|
||
int triangular_lattice_gen_extend_to_r(triangular_lattice_gen_t *g, double r);
|
||
int triangular_lattice_gen_extend_to_steps(triangular_lattice_gen_t *g, int maxsteps);
|
||
void triangular_lattice_gen_free(triangular_lattice_gen_t *g);
|
||
|
||
|
||
/*
|
||
* HONEYCOMB LATTICE
|
||
*/
|
||
|
||
typedef struct {
|
||
// public:
|
||
points2d_rordered_t ps;
|
||
TriangularLatticeOrientation orientation;
|
||
double a;
|
||
double h;
|
||
|
||
// private:
|
||
triangular_lattice_gen_t *tg;
|
||
} honeycomb_lattice_gen_t;
|
||
|
||
honeycomb_lattice_gen_t *honeycomb_lattice_gen_init_h(double h, TriangularLatticeOrientation ori);
|
||
honeycomb_lattice_gen_t *honeycomb_lattice_gen_init_a(double a, TriangularLatticeOrientation ori);
|
||
int honeycomb_lattice_gen_extend_to_steps(honeycomb_lattice_gen_t *g, int maxsteps);
|
||
int honeycomb_lattice_gen_extend_to_r(honeycomb_lattice_gen_t *g, double r);
|
||
void honeycomb_lattice_gen_free(honeycomb_lattice_gen_t *g);
|
||
|
||
#endif // LATTICES_H
|