minimage 0.1.2

Minimum-image convention for periodic parallelepiped cells
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158

# cbindgen config for include/minimage.h.
# Source of truth is src/capi.rs; this file only styles the generated header.
# Meson and CMake install the shipped include/minimage.h and must not run
# cbindgen. Regenerate with: scripts/regen-capi-headers.sh
#
# Do not add [parse.expand] crates: that runs cargo expand (a compile).
# cbindgen parses src/ without building.
# Do not export mi_cell_ortho from Rust; it is a header-only inline in trailer.

language = "C"

############## Options for Wrapping the Contents of the Header #################

header = """
/* Generated by cbindgen from src/capi.rs. Do not edit. */

/*
 * minimage C API.
 *
 * Memory ownership
 *   - Constructor calls write one mi_cell into a caller-owned out.
 *   - mi_displacement / mi_displacement_euclidean / mi_wrap_many /
 *     mi_dist2 / mi_dist2_many / mi_dist2_pairs / mi_dist2_ortho_diffs
 *     write into caller-owned buffers.
 *   - mi_reduce_pairs writes kept (i, j) pairs into caller-owned out
 *     and the count into out_n.
 *   - mi_last_error returns a thread-local pointer. Do not free. The
 *     pointer is invalid after the next mi_* call on the same thread.
 *     mi_version does not read or write the slot.
 *   - mi_version returns a process-static pointer. Do not free.
 *
 * Thread safety
 *   - Distinct cells and distance calls may run concurrently.
 *   - mi_last_error is a thread-local slot. Read it on the same thread
 *     that received a nonzero return.
 */
"""
include_guard = "MINIMAGE_H"
include_version = true
pragma_once = true
autogen_warning = "/* Warning, this file is autogenerated by cbindgen. Don't modify this manually. */"
no_includes = false
cpp_compat = true
trailer = """
#ifndef MINIMAGE_MI_CELL_ORTHO_H
#define MINIMAGE_MI_CELL_ORTHO_H

#ifdef __cplusplus
extern "C" {
#endif

/**
 * Orthorhombic cell with origin at zero.
 */
static inline mi_cell mi_cell_ortho(double lx, double ly, double lz) {
    mi_cell c;
    c.ax = lx;
    c.ay = 0.0;
    c.az = 0.0;
    c.bx = 0.0;
    c.by = ly;
    c.bz = 0.0;
    c.cx = 0.0;
    c.cy = 0.0;
    c.cz = lz;
    c.ox = 0.0;
    c.oy = 0.0;
    c.oz = 0.0;
    return c;
}

#ifdef __cplusplus
}  /* extern "C" */
#endif

#endif  /* MINIMAGE_MI_CELL_ORTHO_H */
"""

############################ Code Style Options ################################

line_length = 80
tab_width = 4
braces = "SameLine"
documentation = true
documentation_style = "Doxy"
documentation_length = "full"
line_endings = "LF"

############################# Codegen Options ##################################

style = "both"
sort_by = "Name"
usize_is_size_t = true

[export]
include = [
    "mi_cell",
    "mi_cell_from_ase",
    "mi_cell_from_con",
    "mi_cell_from_con_box",
    "mi_cell_from_lammps",
    "mi_cell_from_lammps_bounds",
    "mi_cell_from_vectors",
    "mi_cell_from_vesin",
    "mi_displacement",
    "mi_displacement_euclidean",
    "mi_dist2",
    "mi_dist2_many",
    "mi_dist2_ortho_diffs",
    "mi_dist2_pairs",
    "mi_last_error",
    "mi_reduce_pairs",
    "mi_version",
    "mi_wrap_many",
]
exclude = ["mi_cell_ortho", "Cell", "Error"]
item_types = ["enums", "structs", "unions", "typedefs", "opaque", "functions", "constants"]

[export.rename]

[fn]
rename_args = "None"
args = "auto"
sort_by = "Name"

[struct]
rename_fields = "None"
derive_constructor = false
derive_eq = false
derive_neq = false
derive_lt = false
derive_lte = false
derive_gt = false
derive_gte = false

[enum]
rename_variants = "None"
add_sentinel = false
prefix_with_name = false
derive_helper_methods = false
derive_const_casts = false
derive_mut_casts = false
derive_tagged_enum_destructor = false
derive_tagged_enum_copy_constructor = false

[const]
allow_static_const = true
allow_constexpr = false
sort_by = "Name"

[macro_expansion]
bitflags = false

[parse]
parse_deps = false
exclude = []
clean = false
extra_bindings = []