checking return value of ?scanf() calls to detect problems parsing files (8526e7a4) · Commits · 郑智淋 / lammps

doc/src/Errors_messages.txt

+5 −0

Original line number	Diff line number	Diff line
		@@ -5890,6 +5890,11 @@ The element names in the ADP file do not match those requested. :dd

		The element names in the EAM file do not match those requested. :dd

		{Incorrect format of ... section in data file} :dt

		Number or type of values per line in the given section of the data file
		is not consistent with the requirements for this section. :dd

		{Incorrect format in COMB potential file} :dt

		Incorrect number of words per line in the potential file. :dd

src/REPLICA/neb.cpp

+14 −9

Original line number	Diff line number	Diff line
		@@ -397,28 +397,33 @@ void NEB::readfile(char *file, int flag)
		open(file);
		while (1) {
		eof = fgets(line,MAXLINE,fp);
		if (eof == NULL) error->one(FLERR,"Unexpected end of neb file");
		if (eof == NULL) error->one(FLERR,"Unexpected end of NEB file");
		start = &line[strspn(line," \t\n\v\f\r")];
		if (start != '\0' && start != '#') break;
		}
		sscanf(line,"%d",&nlines);
		int rv = sscanf(line,"%d",&nlines);
		if (rv != 1) nlines = -1;
		}
		MPI_Bcast(&nlines,1,MPI_INT,0,uworld);

		if (nlines < 0)
		error->universe_all(FLERR,"Incorrectly formatted NEB file");
		} else {
		if (me == 0) {
		if (ireplica) {
		open(file);
		while (1) {
		eof = fgets(line,MAXLINE,fp);
		if (eof == NULL) error->one(FLERR,"Unexpected end of neb file");
		if (eof == NULL) error->one(FLERR,"Unexpected end of NEB file");
		start = &line[strspn(line," \t\n\v\f\r")];
		if (start != '\0' && start != '#') break;
		}
		sscanf(line,"%d",&nlines);
		int rv = sscanf(line,"%d",&nlines);
		if (rv != 1) nlines = -1;
		} else nlines = 0;
		}
		MPI_Bcast(&nlines,1,MPI_INT,0,world);
		if (nlines < 0)
		error->all(FLERR,"Incorrectly formatted NEB file");
		}

		char buffer = new char[CHUNKMAXLINE];
		@@ -442,7 +447,7 @@ void NEB::readfile(char *file, int flag)
		eofflag = comm->read_lines_from_file_universe(fp,nchunk,MAXLINE,buffer);
		else
		eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer);
		if (eofflag) error->all(FLERR,"Unexpected end of neb file");
		if (eofflag) error->all(FLERR,"Unexpected end of NEB file");

		buf = buffer;
		next = strchr(buf,'\n');
		@@ -451,7 +456,7 @@ void NEB::readfile(char *file, int flag)
		*next = '\n';

		if (nwords != ATTRIBUTE_PERLINE)
		error->all(FLERR,"Incorrect atom format in neb file");
		error->all(FLERR,"Incorrect atom format in NEB file");

		// loop over lines of atom coords
		// tokenize the line into values
		@@ -509,12 +514,12 @@ void NEB::readfile(char *file, int flag)
		int ntotal;
		MPI_Allreduce(&ncount,&ntotal,1,MPI_INT,MPI_SUM,uworld);
		if (ntotal != nreplica*nlines)
		error->universe_all(FLERR,"Invalid atom IDs in neb file");
		error->universe_all(FLERR,"Invalid atom IDs in NEB file");
		} else {
		int ntotal;
		MPI_Allreduce(&ncount,&ntotal,1,MPI_INT,MPI_SUM,world);
		if (ntotal != nlines)
		error->all(FLERR,"Invalid atom IDs in neb file");
		error->all(FLERR,"Invalid atom IDs in NEB file");
		}

		// clean up

src/USER-REAXC/fix_qeq_reax.cpp

+5 −3

Original line number	Diff line number	Diff line
		@@ -200,7 +200,7 @@ void FixQEqReax::pertype_parameters(char *arg)
		return;
		}

		int i,itype,ntypes;
		int i,itype,ntypes,rv;
		double v1,v2,v3;
		FILE *pf;

		@@ -216,9 +216,11 @@ void FixQEqReax::pertype_parameters(char *arg)
		error->one(FLERR,"Fix qeq/reax parameter file could not be found");

		for (i = 1; i <= ntypes && !feof(pf); i++) {
		fscanf(pf,"%d %lg %lg %lg",&itype,&v1,&v2,&v3);
		rv = fscanf(pf,"%d %lg %lg %lg",&itype,&v1,&v2,&v3);
		if (rv != 4)
		error->one(FLERR,"Fix qeq/reax: Incorrect format of param file");
		if (itype < 1 \|\| itype > ntypes)
		error->one(FLERR,"Fix qeq/reax invalid atom type in param file");
		error->one(FLERR,"Fix qeq/reax: invalid atom type in param file");
		chi[itype] = v1;
		eta[itype] = v2;
		gamma[itype] = v3;

src/atom.cpp

+22 −14

Original line number	Diff line number	Diff line
		@@ -1071,7 +1071,7 @@ void Atom::data_vels(int n, char *buf, tagint id_offset)
		void Atom::data_bonds(int n, char buf, int count, tagint id_offset,
		int type_offset)
		{
		int m,tmp,itype;
		int m,tmp,itype,rv;
		tagint atom1,atom2;
		char *next;
		int newton_bond = force->newton_bond;
		@@ -1079,8 +1079,10 @@ void Atom::data_bonds(int n, char buf, int count, tagint id_offset,
		for (int i = 0; i < n; i++) {
		next = strchr(buf,'\n');
		*next = '\0';
		sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT,
		rv = sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT,
		&tmp,&itype,&atom1,&atom2);
		if (rv != 4)
		error->one(FLERR,"Incorrect format of Bonds section in data file");
		if (id_offset) {
		atom1 += id_offset;
		atom2 += id_offset;
		@@ -1124,7 +1126,7 @@ void Atom::data_bonds(int n, char buf, int count, tagint id_offset,
		void Atom::data_angles(int n, char buf, int count, tagint id_offset,
		int type_offset)
		{
		int m,tmp,itype;
		int m,tmp,itype,rv;
		tagint atom1,atom2,atom3;
		char *next;
		int newton_bond = force->newton_bond;
		@@ -1132,8 +1134,10 @@ void Atom::data_angles(int n, char buf, int count, tagint id_offset,
		for (int i = 0; i < n; i++) {
		next = strchr(buf,'\n');
		*next = '\0';
		sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
		rv = sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
		&tmp,&itype,&atom1,&atom2,&atom3);
		if (rv != 5)
		error->one(FLERR,"Incorrect format of Angles section in data file");
		if (id_offset) {
		atom1 += id_offset;
		atom2 += id_offset;
		@@ -1194,7 +1198,7 @@ void Atom::data_angles(int n, char buf, int count, tagint id_offset,
		void Atom::data_dihedrals(int n, char buf, int count, tagint id_offset,
		int type_offset)
		{
		int m,tmp,itype;
		int m,tmp,itype,rv;
		tagint atom1,atom2,atom3,atom4;
		char *next;
		int newton_bond = force->newton_bond;
		@@ -1202,9 +1206,11 @@ void Atom::data_dihedrals(int n, char buf, int count, tagint id_offset,
		for (int i = 0; i < n; i++) {
		next = strchr(buf,'\n');
		*next = '\0';
		sscanf(buf,"%d %d "
		TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
		rv = sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT
		" " TAGINT_FORMAT " " TAGINT_FORMAT,
		&tmp,&itype,&atom1,&atom2,&atom3,&atom4);
		if (rv != 6)
		error->one(FLERR,"Incorrect format of Dihedrals section in data file");
		if (id_offset) {
		atom1 += id_offset;
		atom2 += id_offset;
		@@ -1283,7 +1289,7 @@ void Atom::data_dihedrals(int n, char buf, int count, tagint id_offset,
		void Atom::data_impropers(int n, char buf, int count, tagint id_offset,
		int type_offset)
		{
		int m,tmp,itype;
		int m,tmp,itype,rv;
		tagint atom1,atom2,atom3,atom4;
		char *next;
		int newton_bond = force->newton_bond;
		@@ -1291,9 +1297,11 @@ void Atom::data_impropers(int n, char buf, int count, tagint id_offset,
		for (int i = 0; i < n; i++) {
		next = strchr(buf,'\n');
		*next = '\0';
		sscanf(buf,"%d %d "
		rv = sscanf(buf,"%d %d "
		TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
		&tmp,&itype,&atom1,&atom2,&atom3,&atom4);
		if (rv != 6)
		error->one(FLERR,"Incorrect format of Impropers section in data file");
		if (id_offset) {
		atom1 += id_offset;
		atom2 += id_offset;

src/atom.h

+5 −0

Original line number	Diff line number	Diff line
		@@ -426,6 +426,11 @@ E: Incorrect atom format in data file
		Number of values per atom line in the data file is not consistent with
		the atom style.

		E: Incorrect format of ... section in data file

		Number or type of values per line in the given section of the data file
		is not consistent with the requirements for this section.

		E: Invalid atom type in Atoms section of data file

		Atom types must range from 1 to specified # of types.

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