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simplify API of Force::store_style()

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This commit is contained in:
Axel Kohlmeyer
2022-01-20 16:48:44 -05:00
parent dbe267cb88
commit 49dca516ea
8 changed files with 15 additions and 15 deletions
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2
src/angle_hybrid.cpp
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@ -240,7 +240,7 @@ void AngleHybrid::settings(int narg, char **arg)
error->all(FLERR, "Angle style hybrid cannot have none as an argument");
styles[nstyles] = force->new_angle(arg[i], 1, dummy);
force->store_style(keywords[nstyles], arg[i], 0);
keywords[nstyles] = force->store_style(arg[i], 0);
istyle = i;
if (strcmp(arg[i], "table") == 0) i++;

2
src/bond_hybrid.cpp
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@ -242,7 +242,7 @@ void BondHybrid::settings(int narg, char **arg)
if (strncmp(arg[i], "quartic", 7) == 0) has_quartic = m;
styles[nstyles] = force->new_bond(arg[i], 1, dummy);
force->store_style(keywords[nstyles], arg[i], 0);
keywords[nstyles] = force->store_style(arg[i], 0);
istyle = i;
if (strcmp(arg[i], "table") == 0) i++;

2
src/dihedral_hybrid.cpp
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@ -241,7 +241,7 @@ void DihedralHybrid::settings(int narg, char **arg)
error->all(FLERR, "Dihedral style hybrid cannot have none as an argument");
styles[nstyles] = force->new_dihedral(arg[i], 1, dummy);
force->store_style(keywords[nstyles], arg[i], 0);
keywords[nstyles] = force->store_style(arg[i], 0);
istyle = i;
if (strcmp(arg[i], "table") == 0) i++;

16
src/force.cpp
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@ -229,7 +229,7 @@ void Force::create_pair(const std::string &style, int trysuffix)
int sflag;
pair = new_pair(style,trysuffix,sflag);
store_style(pair_style,style,sflag);
pair_style = store_style(style,sflag);
}
/* ----------------------------------------------------------------------
@ -350,7 +350,7 @@ void Force::create_bond(const std::string &style, int trysuffix)
int sflag;
bond = new_bond(style,trysuffix,sflag);
store_style(bond_style,style,sflag);
bond_style = store_style(style,sflag);
}
/* ----------------------------------------------------------------------
@ -427,7 +427,7 @@ void Force::create_angle(const std::string &style, int trysuffix)
int sflag;
angle = new_angle(style,trysuffix,sflag);
store_style(angle_style,style,sflag);
angle_style = store_style(style,sflag);
}
/* ----------------------------------------------------------------------
@ -504,7 +504,7 @@ void Force::create_dihedral(const std::string &style, int trysuffix)
int sflag;
dihedral = new_dihedral(style,trysuffix,sflag);
store_style(dihedral_style,style,sflag);
dihedral_style = store_style(style,sflag);
}
/* ----------------------------------------------------------------------
@ -581,7 +581,7 @@ void Force::create_improper(const std::string &style, int trysuffix)
int sflag;
improper = new_improper(style,trysuffix,sflag);
store_style(improper_style,style,sflag);
improper_style = store_style(style,sflag);
}
/* ----------------------------------------------------------------------
@ -658,7 +658,7 @@ void Force::create_kspace(const std::string &style, int trysuffix)
int sflag;
kspace = new_kspace(style,trysuffix,sflag);
store_style(kspace_style,style,sflag);
kspace_style = store_style(style,sflag);
}
/* ----------------------------------------------------------------------
@ -729,14 +729,14 @@ KSpace *Force::kspace_match(const std::string &word, int exact)
if sflag = 1/2/3, append suffix or suffix2 or suffixp to style
------------------------------------------------------------------------- */
void Force::store_style(char *&str, const std::string &style, int sflag)
char *Force::store_style(const std::string &style, int sflag)
{
std::string estyle = style;
if (sflag == 1) estyle += std::string("/") + lmp->suffix;
else if (sflag == 2) estyle += std::string("/") + lmp->suffix2;
else if (sflag == 3) estyle += std::string("/") + lmp->suffixp;
str = utils::strdup(estyle);
return utils::strdup(estyle);
}
/* ----------------------------------------------------------------------

2
src/force.h
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@ -146,7 +146,7 @@ class Force : protected Pointers {
KSpace *new_kspace(const std::string &, int, int &);
KSpace *kspace_match(const std::string &, int);
void store_style(char *&, const std::string &, int);
char *store_style(const std::string &, int);
void set_special(int, char **);
double memory_usage();

2
src/improper_hybrid.cpp
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@ -241,7 +241,7 @@ void ImproperHybrid::settings(int narg, char **arg)
error->all(FLERR, "Improper style hybrid cannot have none as an argument");
styles[nstyles] = force->new_improper(arg[i], 1, dummy);
force->store_style(keywords[nstyles], arg[i], 0);
keywords[nstyles] = force->store_style(arg[i], 0);
istyle = i;
if (strcmp(arg[i], "table") == 0) i++;

2
src/pair_hybrid.cpp
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@ -322,7 +322,7 @@ void PairHybrid::settings(int narg, char **arg)
error->all(FLERR,"Pair style hybrid cannot have none as an argument");
styles[nstyles] = force->new_pair(arg[iarg],1,dummy);
force->store_style(keywords[nstyles],arg[iarg],0);
keywords[nstyles] = force->store_style(arg[iarg],0);
special_lj[nstyles] = special_coul[nstyles] = nullptr;
compute_tally[nstyles] = 1;

2
src/pair_hybrid_scaled.cpp
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@ -328,7 +328,7 @@ void PairHybridScaled::settings(int narg, char **arg)
error->all(FLERR, "Pair style hybrid/scaled cannot have none as an argument");
styles[nstyles] = force->new_pair(arg[iarg], 1, dummy);
force->store_style(keywords[nstyles], arg[iarg], 0);
keywords[nstyles] = force->store_style(arg[iarg], 0);
special_lj[nstyles] = special_coul[nstyles] = nullptr;
compute_tally[nstyles] = 1;