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Revamping arg parsing in child class, updates to doc pages

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This commit is contained in:
jtclemm
2024-02-02 17:10:35 -07:00
parent e649c0e070
commit 1afb9e9dcb
4 changed files with 99 additions and 47 deletions
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65
src/fix_deform.cpp
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@ -36,6 +36,7 @@
#include <cstring>
#include <unordered_map>
#include <unordered_set>
#include <vector>
using namespace LAMMPS_NS;
using namespace FixConst;
@ -147,6 +148,7 @@ irregular(nullptr), set(nullptr)
nskip = child_styles[arg[iarg + 1]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg + 1]), error);
for (int i = 0; i < nskip; i++) leftover_iarg.push_back(iarg + i);
iarg += nskip;
} else error->all(FLERR, "Illegal fix {} command argument: {}", style, arg[iarg + 1]);
@ -209,6 +211,7 @@ irregular(nullptr), set(nullptr)
nskip = child_styles[arg[iarg + 1]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg + 1]), error);
for (int i = 0; i < nskip; i++) leftover_iarg.push_back(iarg + i);
iarg += nskip;
} else error->all(FLERR, "Illegal fix {} command argument: {}", style, arg[iarg + 1]);
} else if (child_parameters.find(arg[iarg]) != child_parameters.end()) {
@ -216,6 +219,7 @@ irregular(nullptr), set(nullptr)
nskip = child_styles[arg[iarg + 1]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg + 1]), error);
for (int i = 0; i < nskip; i++) leftover_iarg.push_back(iarg + i);
iarg += nskip;
} error->all(FLERR, "Illegal fix {} command argument: {}", style, arg[iarg + 1]);
} else break;
@ -223,6 +227,7 @@ irregular(nullptr), set(nullptr)
// read options from end of input line
iarg_options_start = iarg;
options(narg - iarg, &arg[iarg]);
// no x remap effectively moves atoms within box, so set restart_pbc
@ -303,37 +308,40 @@ irregular(nullptr), set(nullptr)
// for VOLUME, setup links to other dims
// fixed, dynamic1, dynamic2
// only check for parent, otherwise child will check
for (int i = 0; i < 3; i++) {
if (set[i].style != VOLUME) continue;
int other1 = (i + 1) % 3;
int other2 = (i + 2) % 3;
if (strcmp(style, "deform") == 0) {
for (int i = 0; i < 3; i++) {
if (set[i].style != VOLUME) continue;
int other1 = (i + 1) % 3;
int other2 = (i + 2) % 3;
// Cannot use VOLUME option without at least one deformed dimension
if (set[other1].style == NONE || set[other1].style == VOLUME)
if (set[other2].style == NONE || set[other2].style == VOLUME)
error->all(FLERR, "Fix {} volume setting is invalid", style);
// Cannot use VOLUME option without at least one deformed dimension
if (set[other1].style == NONE || set[other1].style == VOLUME)
if (set[other2].style == NONE || set[other2].style == VOLUME)
error->all(FLERR, "Fix {} volume setting is invalid", style);
if (set[other1].style == NONE) {
set[i].substyle = ONE_FROM_ONE;
set[i].fixed = other1;
set[i].dynamic1 = other2;
} else if (set[other2].style == NONE) {
set[i].substyle = ONE_FROM_ONE;
set[i].fixed = other2;
set[i].dynamic1 = other1;
} else if (set[other1].style == VOLUME) {
set[i].substyle = TWO_FROM_ONE;
set[i].fixed = other1;
set[i].dynamic1 = other2;
} else if (set[other2].style == VOLUME) {
set[i].substyle = TWO_FROM_ONE;
set[i].fixed = other2;
set[i].dynamic1 = other1;
} else {
set[i].substyle = ONE_FROM_TWO;
set[i].dynamic1 = other1;
set[i].dynamic2 = other2;
if (set[other1].style == NONE) {
set[i].substyle = ONE_FROM_ONE;
set[i].fixed = other1;
set[i].dynamic1 = other2;
} else if (set[other2].style == NONE) {
set[i].substyle = ONE_FROM_ONE;
set[i].fixed = other2;
set[i].dynamic1 = other1;
} else if (set[other1].style == VOLUME) {
set[i].substyle = TWO_FROM_ONE;
set[i].fixed = other1;
set[i].dynamic1 = other2;
} else if (set[other2].style == VOLUME) {
set[i].substyle = TWO_FROM_ONE;
set[i].fixed = other2;
set[i].dynamic1 = other1;
} else {
set[i].substyle = ONE_FROM_TWO;
set[i].dynamic1 = other1;
set[i].dynamic2 = other2;
}
}
}
@ -1037,6 +1045,7 @@ void FixDeform::options(int narg, char **arg)
nskip = child_options[arg[iarg]];
if (iarg + nskip > narg)
utils::missing_cmd_args(FLERR, fmt::format("fix {} {}", style, arg[iarg]), error);
for (int i = 0; i < nskip; i++) leftover_iarg.push_back(iarg + i);
iarg += nskip;
} else error->all(FLERR, "Unknown fix {} keyword: {}", style, arg[iarg]);
}