233 lines
15 KiB
C++
233 lines
15 KiB
C++
/*Copyright (c) 2016 PM Larsen
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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:
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The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
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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.
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*/
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#ifndef PTM_INITIALIZE_DATA_H
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#define PTM_INITIALIZE_DATA_H
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#include "ptm_graph_data.h"
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#include "ptm_graph_tools.h"
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#include "ptm_deformation_gradient.h"
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#include "ptm_fundamental_mappings.h"
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#include "ptm_neighbour_ordering.h"
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#include "ptm_canonical_coloured.h"
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#include "ptm_convex_hull_incremental.h"
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#include "ptm_alt_templates.h"
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namespace ptm {
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typedef struct
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{
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int type;
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int num_nbrs;
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int num_facets;
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int max_degree;
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int num_graphs;
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graph_t* graphs;
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const double (*points)[3];
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const double (*points_alt1)[3];
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const double (*points_alt2)[3];
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const double (*points_alt3)[3];
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const double (*penrose)[3];
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const double (*penrose_alt1)[3];
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const double (*penrose_alt2)[3];
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const double (*penrose_alt3)[3];
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int num_mappings;
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const int8_t (*mapping)[PTM_MAX_POINTS];
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const int8_t (*mapping_conventional)[PTM_MAX_POINTS];
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const int8_t *template_indices;
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} refdata_t;
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const refdata_t structure_sc = { PTM_MATCH_SC, //.type
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6, //.num_nbrs
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8, //.num_facets
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4, //.max_degree
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NUM_SC_GRAPHS, //.num_graphs
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graphs_sc, //.graphs
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ptm_template_sc, //.points
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NULL, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_sc, //.penrose
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NULL, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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NUM_CUBIC_MAPPINGS, //.num_mappings
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mapping_sc, //.mapping
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NULL, //.mapping_conventional
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NULL, //.template_indices
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};
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const refdata_t structure_fcc = { PTM_MATCH_FCC, //.type
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12, //.num_nbrs
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20, //.num_facets
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6, //.max_degree
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NUM_FCC_GRAPHS, //.num_graphs
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graphs_fcc, //.graphs
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ptm_template_fcc, //.points
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NULL, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_fcc, //.penrose
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NULL, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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NUM_CUBIC_MAPPINGS, //.num_mappings
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mapping_fcc, //.mapping
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NULL, //.mapping_conventional
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NULL, //.template_indices
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};
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const refdata_t structure_hcp = { PTM_MATCH_HCP, //.type
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12, //.num_nbrs
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20, //.num_facets
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6, //.max_degree
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NUM_HCP_GRAPHS, //.num_graphs
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graphs_hcp, //.graphs
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ptm_template_hcp, //.points
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ptm_template_hcp_alt1, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_hcp, //.penrose
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penrose_hcp_alt1, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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NUM_HEX_MAPPINGS, //.num_mappings
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mapping_hcp, //.mapping
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mapping_hcp_conventional, //.mapping_conventional
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template_indices_hcp, //.template_indices
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};
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const refdata_t structure_ico = { PTM_MATCH_ICO, //.type
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12, //.num_nbrs
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20, //.num_facets
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6, //.max_degree
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NUM_ICO_GRAPHS, //.num_graphs
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graphs_ico, //.graphs
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ptm_template_ico, //.points
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NULL, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_ico, //.penrose
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NULL, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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NUM_ICO_MAPPINGS, //.num_mappings
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mapping_ico, //.mapping
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NULL, //.mapping_conventional
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NULL, //.template_indices
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};
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const refdata_t structure_bcc = { PTM_MATCH_BCC, //.type
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14, //.num_nbrs
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24, //.num_facets
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8, //.max_degree
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NUM_BCC_GRAPHS, //.num_graphs
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graphs_bcc, //.graphs
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ptm_template_bcc, //.points
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NULL, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_bcc, //.penrose
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NULL, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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NUM_CUBIC_MAPPINGS, //.num_mappings
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mapping_bcc, //.mapping
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NULL, //.mapping_conventional
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NULL, //.template_indices
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};
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const refdata_t structure_dcub = { PTM_MATCH_DCUB, //.type
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16, //.num_nbrs
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28, //.num_facets
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8, //.max_degree
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NUM_DCUB_GRAPHS, //.num_graphs
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graphs_dcub, //.graphs
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ptm_template_dcub, //.points
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ptm_template_dcub_alt1, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_dcub, //.penrose
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penrose_dcub_alt1, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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NUM_DCUB_MAPPINGS, //.num_mappings
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mapping_dcub, //.mapping
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mapping_dcub_conventional, //.mapping_conventional
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template_indices_dcub, //.template_indices
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};
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const refdata_t structure_dhex = { PTM_MATCH_DHEX, //.type
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16, //.num_nbrs
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28, //.num_facets
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8, //.max_degree
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NUM_DHEX_GRAPHS, //.num_graphs
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graphs_dhex, //.graphs
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ptm_template_dhex, //.points
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ptm_template_dhex_alt1, //.points_alt1
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ptm_template_dhex_alt2, //.points_alt2
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ptm_template_dhex_alt3, //.points_alt3
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penrose_dhex, //.penrose
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penrose_dhex_alt1, //.penrose_alt1
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penrose_dhex_alt2, //.penrose_alt2
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penrose_dhex_alt3, //.penrose_alt3
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NUM_DHEX_MAPPINGS, //.num_mappings
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mapping_dhex, //.mapping
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mapping_dhex_conventional, //.mapping_conventional
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template_indices_dhex, //.template_indices
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};
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const refdata_t structure_graphene = { PTM_MATCH_GRAPHENE, //.type
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9, //.num_nbrs
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-1, //.num_facets
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-1, //.max_degree
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-1, //.num_graphs
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NULL, //.graphs
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ptm_template_graphene, //.points
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ptm_template_graphene_alt1, //.points_alt1
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NULL, //.points_alt2
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NULL, //.points_alt3
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penrose_graphene, //.penrose
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penrose_graphene_alt1, //.penrose_alt1
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NULL, //.penrose_alt2
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NULL, //.penrose_alt3
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-1, //.num_mappings
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mapping_graphene, //.mapping
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mapping_graphene_conventional, //.mapping_conventional
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template_indices_graphene, //.template_indices
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};
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}
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#ifdef __cplusplus
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extern "C" {
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#endif
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typedef struct ptm_local_handle* ptm_local_handle_t;
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ptm_local_handle_t ptm_initialize_local();
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void ptm_uninitialize_local(ptm_local_handle_t ptr);
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int ptm_initialize_global();
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//------------------------------------
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// global initialization switch
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//------------------------------------
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extern bool ptm_initialized;
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#ifdef __cplusplus
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}
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#endif
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#endif
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