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simplify by using utils::strdup()

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This commit is contained in:
Axel Kohlmeyer
2021-03-18 19:58:04 -04:00
parent c5ab2becd7
commit 59c0325f08
29 changed files with 53 additions and 135 deletions
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15
src/compute.cpp
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@ -49,22 +49,15 @@ Compute::Compute(LAMMPS *lmp, int narg, char **arg) :
// compute ID, group, and style
// ID must be all alphanumeric chars or underscores
int n = strlen(arg[0]) + 1;
id = new char[n];
strcpy(id,arg[0]);
for (int i = 0; i < n-1; i++)
if (!isalnum(id[i]) && id[i] != '_')
error->all(FLERR,
"Compute ID must be alphanumeric or underscore characters");
id = utils::strdup(arg[0]);
if (!utils::is_id(id))
error->all(FLERR,"Compute ID must be alphanumeric or underscore characters");
igroup = group->find(arg[1]);
if (igroup == -1) error->all(FLERR,"Could not find compute group ID");
groupbit = group->bitmask[igroup];
n = strlen(arg[2]) + 1;
style = new char[n];
strcpy(style,arg[2]);
style = utils::strdup(arg[2]);
// set child class defaults

8
src/compute_angle_local.cpp
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@ -67,9 +67,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
bstyle[nvalues++] = ENG;
} else if (strncmp(arg[iarg],"v_",2) == 0) {
bstyle[nvalues++] = VARIABLE;
int n = strlen(arg[iarg]);
vstr[nvar] = new char[n];
strcpy(vstr[nvar],&arg[iarg][2]);
vstr[nvar] = utils::strdup(&arg[iarg][2]);
nvar++;
} else break;
}
@ -85,9 +83,7 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS *lmp, int narg, char **arg) :
if (iarg+3 > narg) error->all(FLERR,"Illegal compute angle/local command");
if (strcmp(arg[iarg+1],"theta") == 0) {
delete [] tstr;
int n = strlen(arg[iarg+2]) + 1;
tstr = new char[n];
strcpy(tstr,arg[iarg+2]);
tstr = utils::strdup(arg[iarg+2]);
tflag = 1;
} else error->all(FLERR,"Illegal compute angle/local command");
iarg += 3;

4
src/compute_angmom_chunk.cpp
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@ -41,9 +41,7 @@ ComputeAngmomChunk::ComputeAngmomChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

8
src/compute_bond_local.cpp
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@ -74,9 +74,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[iarg],"velvib") == 0) bstyle[nvalues++] = VELVIB;
else if (strncmp(arg[iarg],"v_",2) == 0) {
bstyle[nvalues++] = VARIABLE;
int n = strlen(arg[iarg]);
vstr[nvar] = new char[n];
strcpy(vstr[nvar],&arg[iarg][2]);
vstr[nvar] = utils::strdup(&arg[iarg][2]);
nvar++;
} else break;
}
@ -92,9 +90,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
if (iarg+3 > narg) error->all(FLERR,"Illegal compute bond/local command");
if (strcmp(arg[iarg+1],"dist") == 0) {
delete [] dstr;
int n = strlen(arg[iarg+2]) + 1;
dstr = new char[n];
strcpy(dstr,arg[iarg+2]);
dstr = utils::strdup(arg[iarg+2]);
} else error->all(FLERR,"Illegal compute bond/local command");
iarg += 3;
} else error->all(FLERR,"Illegal compute bond/local command");

4
src/compute_centroid_stress_atom.cpp
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@ -51,9 +51,7 @@ ComputeCentroidStressAtom::ComputeCentroidStressAtom(LAMMPS *lmp, int narg, char
if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
else {
int n = strlen(arg[3]) + 1;
id_temp = new char[n];
strcpy(id_temp,arg[3]);
id_temp = utils::strdup(arg[3]);
int icompute = modify->find_compute(id_temp);
if (icompute < 0)

4
src/compute_chunk_atom.cpp
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@ -185,9 +185,7 @@ ComputeChunkAtom::ComputeChunkAtom(LAMMPS *lmp, int narg, char **arg) :
int iregion = domain->find_region(arg[iarg+1]);
if (iregion == -1)
error->all(FLERR,"Region ID for compute chunk/atom does not exist");
int n = strlen(arg[iarg+1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[iarg+1]);
idregion = utils::strdup(arg[iarg+1]);
regionflag = 1;
iarg += 2;
} else if (strcmp(arg[iarg],"nchunk") == 0) {

4
src/compute_chunk_spread_atom.cpp
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@ -36,9 +36,7 @@ ComputeChunkSpreadAtom(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init_chunk();
// expand args if any have wildcard character "*"

4
src/compute_com_chunk.cpp
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@ -43,9 +43,7 @@ ComputeCOMChunk::ComputeCOMChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

4
src/compute_coord_atom.cpp
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@ -85,9 +85,7 @@ ComputeCoordAtom::ComputeCoordAtom(LAMMPS *lmp, int narg, char **arg) :
cstyle = ORIENT;
if (narg != 6) error->all(FLERR,"Illegal compute coord/atom command");
int n = strlen(arg[4]) + 1;
id_orientorder = new char[n];
strcpy(id_orientorder,arg[4]);
id_orientorder = utils::strdup(arg[4]);
int iorientorder = modify->find_compute(id_orientorder);
if (iorientorder < 0)

8
src/compute_dihedral_local.cpp
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@ -64,9 +64,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
bstyle[nvalues++] = PHI;
} else if (strncmp(arg[iarg],"v_",2) == 0) {
bstyle[nvalues++] = VARIABLE;
int n = strlen(arg[iarg]);
vstr[nvar] = new char[n];
strcpy(vstr[nvar],&arg[iarg][2]);
vstr[nvar] = utils::strdup(&arg[iarg][2]);
nvar++;
} else break;
}
@ -83,9 +81,7 @@ ComputeDihedralLocal::ComputeDihedralLocal(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Illegal compute dihedral/local command");
if (strcmp(arg[iarg+1],"phi") == 0) {
delete [] pstr;
int n = strlen(arg[iarg+2]) + 1;
pstr = new char[n];
strcpy(pstr,arg[iarg+2]);
pstr = utils::strdup(arg[iarg+2]);
} else error->all(FLERR,"Illegal compute dihedral/local command");
iarg += 3;
} else error->all(FLERR,"Illegal compute dihedral/local command");

4
src/compute_dipole_chunk.cpp
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@ -49,9 +49,7 @@ ComputeDipoleChunk::ComputeDipoleChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
usecenter = MASSCENTER;

12
src/compute_displace_atom.cpp
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@ -53,9 +53,7 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Illegal compute displace/atom command");
refreshflag = 1;
delete [] rvar;
int n = strlen(arg[iarg+1]) + 1;
rvar = new char[n];
strcpy(rvar,arg[iarg+1]);
rvar = utils::strdup(arg[iarg+1]);
iarg += 2;
} else error->all(FLERR,"Illegal compute displace/atom command");
}
@ -74,11 +72,9 @@ ComputeDisplaceAtom::ComputeDisplaceAtom(LAMMPS *lmp, int narg, char **arg) :
// create a new fix STORE style
// id = compute-ID + COMPUTE_STORE, fix group = compute group
std::string cmd = id + std::string("_COMPUTE_STORE");
id_fix = new char[cmd.size()+1];
strcpy(id_fix,cmd.c_str());
cmd += fmt::format(" {} STORE peratom 1 3", group->names[igroup]);
id_fix = utils::strdup(std::string(id) + "_COMPUTE_STORE");
std::string cmd = id_fix + fmt::format(" {} STORE peratom 1 3",
group->names[igroup]);
modify->add_fix(cmd);
fix = (FixStore *) modify->fix[modify->nfix-1];

5
src/compute_group_group.cpp
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@ -54,10 +54,7 @@ ComputeGroupGroup::ComputeGroupGroup(LAMMPS *lmp, int narg, char **arg) :
extscalar = 1;
extvector = 1;
int n = strlen(arg[3]) + 1;
group2 = new char[n];
strcpy(group2,arg[3]);
group2 = utils::strdup(arg[3]);
jgroup = group->find(group2);
if (jgroup == -1)
error->all(FLERR,"Compute group/group group ID does not exist");

4
src/compute_gyration_chunk.cpp
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@ -36,9 +36,7 @@ ComputeGyrationChunk::ComputeGyrationChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

14
src/compute_heat_flux.cpp
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@ -43,17 +43,9 @@ ComputeHeatFlux::ComputeHeatFlux(LAMMPS *lmp, int narg, char **arg) :
// store ke/atom, pe/atom, stress/atom IDs used by heat flux computation
// insure they are valid for these computations
int n = strlen(arg[3]) + 1;
id_ke = new char[n];
strcpy(id_ke,arg[3]);
n = strlen(arg[4]) + 1;
id_pe = new char[n];
strcpy(id_pe,arg[4]);
n = strlen(arg[5]) + 1;
id_stress = new char[n];
strcpy(id_stress,arg[5]);
id_ke = utils::strdup(arg[3]);
id_pe = utils::strdup(arg[4]);
id_stress = utils::strdup(arg[5]);
int ike = modify->find_compute(id_ke);
int ipe = modify->find_compute(id_pe);

4
src/compute_inertia_chunk.cpp
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@ -41,9 +41,7 @@ ComputeInertiaChunk::ComputeInertiaChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

12
src/compute_msd_chunk.cpp
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@ -44,9 +44,7 @@ ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
firstflag = 1;
init();
@ -58,11 +56,9 @@ ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
// potentially re-populate the fix array (and change it to correct size)
// otherwise size reset and init will be done in setup()
std::string fixcmd = id + std::string("_COMPUTE_STORE");
id_fix = new char[fixcmd.size()+1];
strcpy(id_fix,fixcmd.c_str());
fixcmd += fmt::format(" {} STORE global 1 1",group->names[igroup]);
id_fix = utils::strdup(std::string(id) + "_COMPUTE_STORE");
std::string fixcmd = id_fix
+ fmt::format(" {} STORE global 1 1",group->names[igroup]);
modify->add_fix(fixcmd);
fix = (FixStore *) modify->fix[modify->nfix-1];
}

4
src/compute_omega_chunk.cpp
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@ -45,9 +45,7 @@ ComputeOmegaChunk::ComputeOmegaChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

11
src/compute_pair.cpp
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@ -37,10 +37,10 @@ ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
peflag = 1;
timeflag = 1;
int n = strlen(arg[3]) + 1;
if (lmp->suffix) n += strlen(lmp->suffix) + 1;
pstyle = new char[n];
strcpy(pstyle,arg[3]);
// copy with suffix so we can later chop it off, if needed
if (lmp->suffix)
pstyle = utils::strdup(fmt::format("{}/{}",arg[3],lmp->suffix));
else pstyle = utils::strdup(arg[3]);
int iarg = 4;
nsub = 0;
@ -67,8 +67,7 @@ ComputePair::ComputePair(LAMMPS *lmp, int narg, char **arg) :
pair = force->pair_match(pstyle,1,nsub);
if (!pair && lmp->suffix) {
strcat(pstyle,"/");
strcat(pstyle,lmp->suffix);
pstyle[strlen(pstyle) - strlen(lmp->suffix) - 1] = '\0';
pair = force->pair_match(pstyle,1,nsub);
}

15
src/compute_pressure.cpp
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@ -53,9 +53,7 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
else {
int n = strlen(arg[3]) + 1;
id_temp = new char[n];
strcpy(id_temp,arg[3]);
id_temp = utils::strdup(arg[3]);
int icompute = modify->find_compute(id_temp);
if (icompute < 0)
@ -82,10 +80,10 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
while (iarg < narg) {
if (strcmp(arg[iarg],"ke") == 0) keflag = 1;
else if (strcmp(arg[iarg],"pair/hybrid") == 0) {
int n = strlen(arg[++iarg]) + 1;
if (lmp->suffix) n += strlen(lmp->suffix) + 1;
pstyle = new char[n];
strcpy(pstyle,arg[iarg++]);
if (lmp->suffix)
pstyle = utils::strdup(fmt::format("{}/{}",arg[++iarg],lmp->suffix));
else
pstyle = utils::strdup(arg[++iarg]);
nsub = 0;
@ -102,8 +100,7 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
pairhybrid = (Pair *) force->pair_match(pstyle,1,nsub);
if (!pairhybrid && lmp->suffix) {
strcat(pstyle,"/");
strcat(pstyle,lmp->suffix);
pstyle[strlen(pstyle) - strlen(lmp->suffix) - 1] = '\0';
pairhybrid = (Pair *) force->pair_match(pstyle,1,nsub);
}

4
src/compute_property_chunk.cpp
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@ -33,9 +33,7 @@ ComputePropertyChunk::ComputePropertyChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

4
src/compute_reduce.cpp
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@ -47,9 +47,7 @@ ComputeReduce::ComputeReduce(LAMMPS *lmp, int narg, char **arg) :
iregion = domain->find_region(arg[3]);
if (iregion == -1)
error->all(FLERR,"Region ID for compute reduce/region does not exist");
int n = strlen(arg[3]) + 1;
idregion = new char[n];
strcpy(idregion,arg[3]);
idregion = utils::strdup(arg[3]);
iarg = 4;
}

4
src/compute_reduce_chunk.cpp
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@ -45,9 +45,7 @@ ComputeReduceChunk::ComputeReduceChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init_chunk();
// mode

4
src/compute_stress_atom.cpp
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@ -51,9 +51,7 @@ ComputeStressAtom::ComputeStressAtom(LAMMPS *lmp, int narg, char **arg) :
if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
else {
int n = strlen(arg[3]) + 1;
id_temp = new char[n];
strcpy(id_temp,arg[3]);
id_temp = utils::strdup(arg[3]);
int icompute = modify->find_compute(id_temp);
if (icompute < 0)

8
src/compute_temp_chunk.cpp
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@ -44,9 +44,7 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
biasflag = 0;
init();
@ -87,9 +85,7 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
if (iarg+2 > narg)
error->all(FLERR,"Illegal compute temp/chunk command");
biasflag = 1;
int n = strlen(arg[iarg+1]) + 1;
id_bias = new char[n];
strcpy(id_bias,arg[iarg+1]);
id_bias = utils::strdup(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"adof") == 0) {
if (iarg+2 > narg)

4
src/compute_temp_region.cpp
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@ -36,9 +36,7 @@ ComputeTempRegion::ComputeTempRegion(LAMMPS *lmp, int narg, char **arg) :
iregion = domain->find_region(arg[3]);
if (iregion == -1)
error->all(FLERR,"Region ID for compute temp/region does not exist");
int n = strlen(arg[3]) + 1;
idregion = new char[n];
strcpy(idregion,arg[3]);
idregion = utils::strdup(arg[3]);
scalar_flag = vector_flag = 1;
size_vector = 6;

4
src/compute_temp_sphere.cpp
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@ -51,9 +51,7 @@ ComputeTempSphere::ComputeTempSphere(LAMMPS *lmp, int narg, char **arg) :
if (iarg+2 > narg)
error->all(FLERR,"Illegal compute temp/sphere command");
tempbias = 1;
int n = strlen(arg[iarg+1]) + 1;
id_bias = new char[n];
strcpy(id_bias,arg[iarg+1]);
id_bias = utils::strdup(arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"dof") == 0) {
if (iarg+2 > narg)

4
src/compute_torque_chunk.cpp
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@ -40,9 +40,7 @@ ComputeTorqueChunk::ComputeTorqueChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();

4
src/compute_vcm_chunk.cpp
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@ -41,9 +41,7 @@ ComputeVCMChunk::ComputeVCMChunk(LAMMPS *lmp, int narg, char **arg) :
// ID of compute chunk/atom
int n = strlen(arg[3]) + 1;
idchunk = new char[n];
strcpy(idchunk,arg[3]);
idchunk = utils::strdup(arg[3]);
init();