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must not assume that size_one == nfield in DumpCustom since DumpVTK changes it

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this changes all loops over format strings and output types to using nfield
This commit is contained in:
Axel Kohlmeyer
2020-10-13 15:28:02 -04:00
parent e23774ed56
commit d0ac698a41
1 changed files with 16 additions and 16 deletions
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32
src/dump_custom.cpp
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@ -157,12 +157,12 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
// setup format strings
vformat = new char*[size_one];
vformat = new char*[nfield];
format_default = new char[4*size_one+1];
format_default = new char[4*nfield+1];
format_default[0] = '\0';
for (int i = 0; i < size_one; i++) {
for (int i = 0; i < nfield; i++) {
if (vtype[i] == Dump::INT) strcat(format_default,"%d ");
else if (vtype[i] == Dump::DOUBLE) strcat(format_default,"%g ");
else if (vtype[i] == Dump::STRING) strcat(format_default,"%s ");
@ -170,8 +170,8 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
vformat[i] = nullptr;
}
format_column_user = new char*[size_one];
for (int i = 0; i < size_one; i++) format_column_user[i] = nullptr;
format_column_user = new char*[nfield];
for (int i = 0; i < nfield; i++) format_column_user[i] = nullptr;
// setup column string
@ -244,12 +244,12 @@ DumpCustom::~DumpCustom()
delete [] typenames;
if (vformat) {
for (int i = 0; i < size_one; i++) delete [] vformat[i];
for (int i = 0; i < nfield; i++) delete [] vformat[i];
delete [] vformat;
}
if (format_column_user) {
for (int i = 0; i < size_one; i++) delete [] format_column_user[i];
for (int i = 0; i < nfield; i++) delete [] format_column_user[i];
delete [] format_column_user;
}
@ -277,7 +277,7 @@ void DumpCustom::init_style()
// lo priority = line, medium priority = int/float, hi priority = column
char *ptr;
for (int i = 0; i < size_one; i++) {
for (int i = 0; i < nfield; i++) {
if (i == 0) ptr = strtok(format," \0");
else ptr = strtok(nullptr," \0");
if (ptr == nullptr) error->all(FLERR,"Dump_modify format line is too short");
@ -300,7 +300,7 @@ void DumpCustom::init_style()
strcpy(vformat[i],ptr);
}
if (i+1 < size_one) vformat[i] = strcat(vformat[i]," ");
if (i+1 < nfield) vformat[i] = strcat(vformat[i]," ");
}
// setup boundary string
@ -466,7 +466,7 @@ void DumpCustom::header_binary(bigint ndump)
fwrite(&boxyhi,sizeof(double),1,fp);
fwrite(&boxzlo,sizeof(double),1,fp);
fwrite(&boxzhi,sizeof(double),1,fp);
fwrite(&size_one,sizeof(int),1,fp);
fwrite(&nfield,sizeof(int),1,fp);
header_unit_style_binary();
header_time_binary();
@ -495,7 +495,7 @@ void DumpCustom::header_binary_triclinic(bigint ndump)
fwrite(&boxxy,sizeof(double),1,fp);
fwrite(&boxxz,sizeof(double),1,fp);
fwrite(&boxyz,sizeof(double),1,fp);
fwrite(&size_one,sizeof(int),1,fp);
fwrite(&nfield,sizeof(int),1,fp);
header_unit_style_binary();
header_time_binary();
@ -1178,13 +1178,13 @@ int DumpCustom::convert_string(int n, double *mybuf)
int offset = 0;
int m = 0;
for (i = 0; i < n; i++) {
if (offset + size_one*ONEFIELD > maxsbuf) {
if (offset + nfield*ONEFIELD > maxsbuf) {
if ((bigint) maxsbuf + DELTA > MAXSMALLINT) return -1;
maxsbuf += DELTA;
memory->grow(sbuf,maxsbuf,"dump:sbuf");
}
for (j = 0; j < size_one; j++) {
for (j = 0; j < nfield; j++) {
if (vtype[j] == Dump::INT)
offset += sprintf(&sbuf[offset],vformat[j],static_cast<int> (mybuf[m]));
else if (vtype[j] == Dump::DOUBLE)
@ -1233,7 +1233,7 @@ void DumpCustom::write_lines(int n, double *mybuf)
int m = 0;
for (i = 0; i < n; i++) {
for (j = 0; j < size_one; j++) {
for (j = 0; j < nfield; j++) {
if (vtype[j] == Dump::INT) fprintf(fp,vformat[j],static_cast<int> (mybuf[m]));
else if (vtype[j] == Dump::DOUBLE) fprintf(fp,vformat[j],mybuf[m]);
else if (vtype[j] == Dump::STRING)
@ -1709,7 +1709,7 @@ int DumpCustom::modify_param(int narg, char **arg)
if (strcmp(arg[1],"none") == 0) {
// just clear format_column_user allocated by this dump child class
for (int i = 0; i < size_one; i++) {
for (int i = 0; i < nfield; i++) {
delete [] format_column_user[i];
format_column_user[i] = nullptr;
}
@ -1746,7 +1746,7 @@ int DumpCustom::modify_param(int narg, char **arg)
} else {
int i = utils::inumeric(FLERR,arg[1],false,lmp) - 1;
if (i < 0 || i >= size_one)
if (i < 0 || i >= nfield)
error->all(FLERR,"Illegal dump_modify command");
if (format_column_user[i]) delete [] format_column_user[i];
int n = strlen(arg[2]) + 1;