Repository navigation
Expand file tree
/
Copy pathparticle_type.cpp
More file actions
259 lines (224 loc) · 6.33 KB
/
Copy pathparticle_type.cpp
File metadata and controls
259 lines (224 loc) · 6.33 KB
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
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
#include "openmc/particle_type.h"
#include <algorithm>
#include <cctype>
#include <stdexcept>
#include "openmc/error.h"
#include "openmc/string_utils.h"
namespace openmc {
namespace {
constexpr const char* ATOMIC_SYMBOL[] = {"", "H", "He", "Li", "Be", "B", "C",
"N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca",
"Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As",
"Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd",
"Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr",
"Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf",
"Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At",
"Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf",
"Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg",
"Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og"};
constexpr int MAX_Z =
static_cast<int>(sizeof(ATOMIC_SYMBOL) / sizeof(ATOMIC_SYMBOL[0])) - 1;
bool is_integer_string(const std::string& s)
{
if (s.empty())
return false;
size_t i = 0;
if (s[0] == '-' || s[0] == '+') {
if (s.size() == 1)
return false;
i = 1;
}
for (; i < s.size(); ++i) {
if (!std::isdigit(static_cast<unsigned char>(s[i])))
return false;
}
return true;
}
int atomic_number_from_symbol(std::string_view symbol)
{
for (int z = 1; z <= MAX_Z; ++z) {
if (symbol == ATOMIC_SYMBOL[z]) {
return z;
}
}
return 0;
}
bool parse_gnds_nuclide(std::string_view name, int& Z, int& A, int& m)
{
if (name.empty())
return false;
size_t pos = 0;
if (!std::isupper(static_cast<unsigned char>(name[pos])))
return false;
std::string symbol;
symbol += name[pos++];
if (pos < name.size() &&
std::islower(static_cast<unsigned char>(name[pos]))) {
symbol += name[pos++];
}
if (pos >= name.size() ||
!std::isdigit(static_cast<unsigned char>(name[pos]))) {
return false;
}
size_t a_start = pos;
while (
pos < name.size() && std::isdigit(static_cast<unsigned char>(name[pos]))) {
++pos;
}
A = std::stoi(std::string {name.substr(a_start, pos - a_start)});
if (A <= 0 || A > 999)
return false;
m = 0;
if (pos < name.size()) {
if (name[pos] != '_' || pos + 2 >= name.size() || name[pos + 1] != 'm') {
return false;
}
pos += 2;
size_t m_start = pos;
while (pos < name.size() &&
std::isdigit(static_cast<unsigned char>(name[pos]))) {
++pos;
}
if (m_start == pos)
return false;
m = std::stoi(std::string {name.substr(m_start, pos - m_start)});
if (m < 0 || m > 9)
return false;
}
if (pos != name.size())
return false;
Z = atomic_number_from_symbol(symbol);
return Z != 0;
}
// Helper to convert nuclear PDG number to nuclide name
std::string nuclide_name_from_pdg(int32_t pdg)
{
int32_t code = pdg;
int m = code % 10;
int A = (code / 10) % 1000;
int Z = (code / 10000) % 1000;
if (Z <= 0 || Z > MAX_Z || A <= 0 || A > 999) {
throw std::invalid_argument {
"Invalid nuclear PDG number: " + std::to_string(pdg)};
}
std::string name = ATOMIC_SYMBOL[Z] + std::to_string(A);
if (m > 0) {
name += "_m" + std::to_string(m);
}
return name;
}
} // namespace
//==============================================================================
// ParticleType member function implementations
//==============================================================================
double ParticleType::mass() const
{
if (pdg_number_ == PDG_PHOTON)
return 0.0;
double mass = nuclear_mass_from_pdg(pdg_number_);
if (mass > 0.0)
return mass;
fatal_error("Unknown mass for particle " + str());
}
ParticleType::ParticleType(std::string_view str)
{
std::string s {str};
strtrim(s);
if (s.empty()) {
throw std::invalid_argument {"Particle string is empty."};
}
std::string lower = s;
to_lower(lower);
// Check for pdg: prefix
if (starts_with(lower, "pdg:")) {
std::string value_str = lower.substr(4);
if (!is_integer_string(value_str)) {
throw std::invalid_argument {"Invalid PDG number: " + value_str};
}
pdg_number_ = std::stoi(value_str);
return;
}
// Check for known particle names
if (lower == "neutron" || lower == "n") {
pdg_number_ = PDG_NEUTRON;
return;
}
if (lower == "photon" || lower == "gamma") {
pdg_number_ = PDG_PHOTON;
return;
}
if (lower == "electron") {
pdg_number_ = PDG_ELECTRON;
return;
}
if (lower == "positron") {
pdg_number_ = PDG_POSITRON;
return;
}
if (lower == "proton" || lower == "p" || lower == "h1") {
pdg_number_ = PDG_PROTON;
return;
}
if (lower == "deuteron" || lower == "d" || lower == "h2") {
pdg_number_ = PDG_DEUTERON;
return;
}
if (lower == "triton" || lower == "t" || lower == "h3") {
pdg_number_ = PDG_TRITON;
return;
}
if (lower == "alpha" || lower == "he4") {
pdg_number_ = PDG_ALPHA;
return;
}
// Check for integer string
if (is_integer_string(s)) {
pdg_number_ = std::stoi(s);
return;
}
// Try to parse as GNDS nuclide name
int Z = 0;
int A = 0;
int m = 0;
if (!parse_gnds_nuclide(s, Z, A, m)) {
throw std::invalid_argument {"Invalid nuclide name: " + s};
}
pdg_number_ = 1000000000 + Z * 10000 + A * 10 + m;
}
std::string ParticleType::str() const
{
if (pdg_number_ == PDG_NEUTRON)
return "neutron";
if (pdg_number_ == PDG_PHOTON)
return "photon";
if (pdg_number_ == PDG_ELECTRON)
return "electron";
if (pdg_number_ == PDG_POSITRON)
return "positron";
if (pdg_number_ == PDG_PROTON)
return "proton";
if (is_nucleus()) {
return nuclide_name_from_pdg(pdg_number_);
}
return "pdg:" + std::to_string(pdg_number_);
}
//==============================================================================
// Free function implementations
//==============================================================================
ParticleType legacy_particle_index_to_type(int index)
{
switch (index) {
case 0:
return ParticleType {PDG_NEUTRON};
case 1:
return ParticleType {PDG_PHOTON};
case 2:
return ParticleType {PDG_ELECTRON};
case 3:
return ParticleType {PDG_POSITRON};
default:
throw std::invalid_argument {
"Invalid legacy particle index: " + std::to_string(index)};
}
}
} // namespace openmc