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36 #ifndef GMX_SELECTION_SELMETHOD_IMPL_H
37 #define GMX_SELECTION_SELMETHOD_IMPL_H
39 #include "selmethod.h"
42 * These global variables cannot be const because gmx_ana_selmethod_register()
43 * modifies them to set some defaults. This is a small price to pay for the
44 * convenience of not having to remember exactly how the selection compiler
45 * expects the structures to be filled, and even more so if the expectations
46 * change. Also, even if the gmx_ana_selmethod_t structures were made const,
47 * the parameters could not be without typecasts somewhere, because the param
48 * field in gmx_ana_selmethod_t cannot be declared const.
50 * Even though the variables may be modified, this should be thread-safe as
51 * modifications are done only in gmx_ana_selmethod_register(), and it should
52 * work even if called more than once for the same structure, and even if
53 * called concurrently from multiple threads (as long as the selection
54 * collection is not the same).
56 * All of these problems should go away if/when the selection methods are
57 * implemented as C++ classes.
61 extern gmx_ana_selmethod_t sm_cog;
62 extern gmx_ana_selmethod_t sm_com;
63 /* From sm_simple.c */
64 extern gmx_ana_selmethod_t sm_all;
65 extern gmx_ana_selmethod_t sm_none;
66 extern gmx_ana_selmethod_t sm_atomnr;
67 extern gmx_ana_selmethod_t sm_resnr;
68 extern gmx_ana_selmethod_t sm_resindex;
69 extern gmx_ana_selmethod_t sm_molindex;
70 extern gmx_ana_selmethod_t sm_atomname;
71 extern gmx_ana_selmethod_t sm_pdbatomname;
72 extern gmx_ana_selmethod_t sm_atomtype;
73 extern gmx_ana_selmethod_t sm_resname;
74 extern gmx_ana_selmethod_t sm_insertcode;
75 extern gmx_ana_selmethod_t sm_chain;
76 extern gmx_ana_selmethod_t sm_mass;
77 extern gmx_ana_selmethod_t sm_charge;
78 extern gmx_ana_selmethod_t sm_altloc;
79 extern gmx_ana_selmethod_t sm_occupancy;
80 extern gmx_ana_selmethod_t sm_betafactor;
81 extern gmx_ana_selmethod_t sm_x;
82 extern gmx_ana_selmethod_t sm_y;
83 extern gmx_ana_selmethod_t sm_z;
84 /* From sm_distance.c */
85 extern gmx_ana_selmethod_t sm_distance;
86 extern gmx_ana_selmethod_t sm_mindistance;
87 extern gmx_ana_selmethod_t sm_within;
88 /* From sm_insolidangle.c */
89 extern gmx_ana_selmethod_t sm_insolidangle;
91 extern gmx_ana_selmethod_t sm_same;
94 extern gmx_ana_selmethod_t sm_merge;
95 extern gmx_ana_selmethod_t sm_plus;
96 /* From sm_permute.c */
97 extern gmx_ana_selmethod_t sm_permute;