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Sync DumpAtom and binary2txt to generate the same

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Modifies the binary dump atom format to include columns information.
binary2txt showcases how to detect the new format by checking for
negative ntimestep values. It increases the binary file size
16 bytes per timestep.
This commit is contained in:
Richard Berger
2020-08-11 14:58:36 -04:00
parent e3a1fd7c02
commit 2ad9e06bac
2 changed files with 59 additions and 9 deletions
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10
src/dump_atom.cpp
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@ -168,6 +168,11 @@ void DumpAtom::write_data(int n, double *mybuf)
void DumpAtom::header_binary(bigint ndump)
{
// use negative ntimestep as marker for new format
bigint fmtlen = strlen("DUMPATOM");
bigint marker = -fmtlen;
fwrite(&marker,sizeof(bigint),1,fp);
fwrite("DUMPATOM",sizeof(char),fmtlen,fp);
fwrite(&update->ntimestep,sizeof(bigint),1,fp);
fwrite(&ndump,sizeof(bigint),1,fp);
fwrite(&domain->triclinic,sizeof(int),1,fp);
@ -179,6 +184,11 @@ void DumpAtom::header_binary(bigint ndump)
fwrite(&boxzlo,sizeof(double),1,fp);
fwrite(&boxzhi,sizeof(double),1,fp);
fwrite(&size_one,sizeof(int),1,fp);
int len = strlen(columns);
fwrite(&len, sizeof(int), 1, fp);
fwrite(columns, sizeof(char), len, fp);
if (multiproc) fwrite(&nclusterprocs,sizeof(int),1,fp);
else fwrite(&nprocs,sizeof(int),1,fp);
}