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ptm_initialize_data.h
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ptm_initialize_data.h
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/*Copyright (c) 2016 PM Larsen
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
*/
#ifndef PTM_INITIALIZE_DATA_H
#define PTM_INITIALIZE_DATA_H
#include "ptm_graph_data.h"
#include "ptm_graph_tools.h"
#include "ptm_deformation_gradient.h"
#include "ptm_fundamental_mappings.h"
#include "ptm_neighbour_ordering.h"
#include "ptm_canonical_coloured.h"
#include "ptm_convex_hull_incremental.h"
#include "ptm_alt_templates.h"
#include "ptm_quat.h"
namespace ptm {
typedef struct
{
int type;
int num_nbrs;
int num_facets;
int max_degree;
int num_graphs;
graph_t* graphs;
const double (*points)[3];
const double (*points_alt1)[3];
const double (*points_alt2)[3];
const double (*points_alt3)[3];
const double (*penrose)[3];
const double (*penrose_alt1)[3];
const double (*penrose_alt2)[3];
const double (*penrose_alt3)[3];
int num_mappings;
const int8_t (*mapping)[PTM_MAX_POINTS];
int num_conventional_mappings;
const int8_t (*mapping_conventional)[PTM_MAX_POINTS];
const int8_t (*mapping_conventional_inverse)[PTM_MAX_POINTS];
const int8_t *template_indices;
const double (*qconventional)[4];
} refdata_t;
const refdata_t structure_sc = { PTM_MATCH_SC, //.type
6, //.num_nbrs
8, //.num_facets
4, //.max_degree
NUM_SC_GRAPHS, //.num_graphs
graphs_sc, //.graphs
ptm_template_sc, //.points
NULL, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_sc, //.penrose
NULL, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
NUM_CUBIC_MAPPINGS, //.num_mappings
mapping_sc, //.mapping
0, //.num_conventional_mappings
NULL, //.mapping_conventional
NULL, //.mapping_conventional_inverse
NULL, //.template_indices
NULL, //.qconventional
};
const refdata_t structure_fcc = { PTM_MATCH_FCC, //.type
12, //.num_nbrs
20, //.num_facets
6, //.max_degree
NUM_FCC_GRAPHS, //.num_graphs
graphs_fcc, //.graphs
ptm_template_fcc, //.points
NULL, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_fcc, //.penrose
NULL, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
NUM_CUBIC_MAPPINGS, //.num_mappings
mapping_fcc, //.mapping
0, //.num_conventional_mappings
NULL, //.mapping_conventional
NULL, //.mapping_conventional_inverse
NULL, //.template_indices
NULL, //.qconventional
};
const refdata_t structure_hcp = { PTM_MATCH_HCP, //.type
12, //.num_nbrs
20, //.num_facets
6, //.max_degree
NUM_HCP_GRAPHS, //.num_graphs
graphs_hcp, //.graphs
ptm_template_hcp, //.points
ptm_template_hcp_alt1, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_hcp, //.penrose
penrose_hcp_alt1, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
NUM_HEX_MAPPINGS, //.num_mappings
mapping_hcp, //.mapping
NUM_CONVENTIONAL_HEX_MAPPINGS, //.num_conventional_mappings
mapping_hcp_conventional, //.mapping_conventional
mapping_hcp_conventional_inverse, //.mapping_conventional_inverse
template_indices_hcp, //.template_indices
ptm::generator_hcp_conventional, //.qconventional
};
const refdata_t structure_ico = { PTM_MATCH_ICO, //.type
12, //.num_nbrs
20, //.num_facets
6, //.max_degree
NUM_ICO_GRAPHS, //.num_graphs
graphs_ico, //.graphs
ptm_template_ico, //.points
NULL, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_ico, //.penrose
NULL, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
NUM_ICO_MAPPINGS, //.num_mappings
mapping_ico, //.mapping
0, //.num_conventional_mappings
NULL, //.mapping_conventional
NULL, //.mapping_conventional_inverse
NULL, //.template_indices
NULL, //.qconventional
};
const refdata_t structure_bcc = { PTM_MATCH_BCC, //.type
14, //.num_nbrs
24, //.num_facets
8, //.max_degree
NUM_BCC_GRAPHS, //.num_graphs
graphs_bcc, //.graphs
ptm_template_bcc, //.points
NULL, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_bcc, //.penrose
NULL, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
NUM_CUBIC_MAPPINGS, //.num_mappings
mapping_bcc, //.mapping
0, //.num_conventional_mappings
NULL, //.mapping_conventional
NULL, //.mapping_conventional_inverse
NULL, //.template_indices
NULL, //.qconventional
};
const refdata_t structure_dcub = { PTM_MATCH_DCUB, //.type
16, //.num_nbrs
28, //.num_facets
8, //.max_degree
NUM_DCUB_GRAPHS, //.num_graphs
graphs_dcub, //.graphs
ptm_template_dcub, //.points
ptm_template_dcub_alt1, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_dcub, //.penrose
penrose_dcub_alt1, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
NUM_DCUB_MAPPINGS, //.num_mappings
mapping_dcub, //.mapping
NUM_CONVENTIONAL_DCUB_MAPPINGS, //.num_conventional_mappings
mapping_dcub_conventional, //.mapping_conventional
mapping_dcub_conventional_inverse, //.mapping_conventional_inverse
template_indices_dcub, //.template_indices
generator_cubic, //.qconventional
};
const refdata_t structure_dhex = { PTM_MATCH_DHEX, //.type
16, //.num_nbrs
28, //.num_facets
8, //.max_degree
NUM_DHEX_GRAPHS, //.num_graphs
graphs_dhex, //.graphs
ptm_template_dhex, //.points
ptm_template_dhex_alt1, //.points_alt1
ptm_template_dhex_alt2, //.points_alt2
ptm_template_dhex_alt3, //.points_alt3
penrose_dhex, //.penrose
penrose_dhex_alt1, //.penrose_alt1
penrose_dhex_alt2, //.penrose_alt2
penrose_dhex_alt3, //.penrose_alt3
NUM_DHEX_MAPPINGS, //.num_mappings
mapping_dhex, //.mapping
NUM_CONVENTIONAL_DHEX_MAPPINGS, //.num_conventional_mappings
mapping_dhex_conventional, //.mapping_conventional
mapping_dhex_conventional_inverse, //.mapping_conventional_inverse
template_indices_dhex, //.template_indices
generator_hcp_conventional, //.qconventional
};
const refdata_t structure_graphene = { PTM_MATCH_GRAPHENE, //.type
9, //.num_nbrs
-1, //.num_facets
-1, //.max_degree
-1, //.num_graphs
NULL, //.graphs
ptm_template_graphene, //.points
ptm_template_graphene_alt1, //.points_alt1
NULL, //.points_alt2
NULL, //.points_alt3
penrose_graphene, //.penrose
penrose_graphene_alt1, //.penrose_alt1
NULL, //.penrose_alt2
NULL, //.penrose_alt3
-1, //.num_mappings
mapping_graphene, //.mapping
NUM_CONVENTIONAL_GRAPHENE_MAPPINGS, //.num_conventional_mappings
mapping_graphene_conventional, //.mapping_conventional
mapping_graphene_conventional_inverse, //.mapping_conventional_inverse
template_indices_graphene, //.template_indices
generator_hcp_conventional, //.qconventional
};
const refdata_t* const refdata[] = { NULL,
&structure_fcc,
&structure_hcp,
&structure_bcc,
&structure_ico,
&structure_sc,
&structure_dcub,
&structure_dhex,
&structure_graphene };
}
#ifdef __cplusplus
extern "C" {
#endif
typedef struct ptm_local_handle* ptm_local_handle_t;
ptm_local_handle_t ptm_initialize_local();
void ptm_uninitialize_local(ptm_local_handle_t ptr);
int ptm_initialize_global();
//------------------------------------
// global initialization switch
//------------------------------------
extern bool ptm_initialized;
#ifdef __cplusplus
}
#endif
#endif