avoid segfault and print more meaningful error message with empty lines in coeff sections (55116db8) · Commits · 郑智淋 / lammps

doc/src/Errors_messages.txt

+10 −10

Original line number	Diff line number	Diff line
		@@ -9990,25 +9990,25 @@ quote. :dd

		Self-explanatory. :dd

		{Unexpected end of AngleCoeffs section} :dt
		{Unexpected empty line in AngleCoeffs section} :dt

		Read a blank line. :dd
		Read a blank line where there should be coefficient data. :dd

		{Unexpected end of BondCoeffs section} :dt
		{Unexpected empty line in BondCoeffs section} :dt

		Read a blank line. :dd
		Read a blank line where there should be coefficient data. :dd

		{Unexpected end of DihedralCoeffs section} :dt
		{Unexpected empty line in DihedralCoeffs section} :dt

		Read a blank line. :dd
		Read a blank line where there should be coefficient data. :dd

		{Unexpected end of ImproperCoeffs section} :dt
		{Unexpected empty line in ImproperCoeffs section} :dt

		Read a blank line. :dd
		Read a blank line where there should be coefficient data. :dd

		{Unexpected end of PairCoeffs section} :dt
		{Unexpected empty line in PairCoeffs section} :dt

		Read a blank line. :dd
		Read a blank line where there should be coefficient data. :dd

		{Unexpected end of custom file} :dt

src/read_data.cpp

+14 −6

Original line number	Diff line number	Diff line
		@@ -1768,7 +1768,8 @@ void ReadData::paircoeffs()
		next = strchr(buf,'\n');
		*next = '\0';
		parse_coeffs(buf,NULL,1,2,toffset);
		if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
		if (narg == 0)
		error->all(FLERR,"Unexpected empty line in PairCoeffs section");
		force->pair->coeff(narg,arg);
		buf = next + 1;
		}
		@@ -1794,7 +1795,8 @@ void ReadData::pairIJcoeffs()
		next = strchr(buf,'\n');
		*next = '\0';
		parse_coeffs(buf,NULL,0,2,toffset);
		if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
		if (narg == 0)
		error->all(FLERR,"Unexpected empty line in PairCoeffs section");
		force->pair->coeff(narg,arg);
		buf = next + 1;
		}
		@@ -1818,7 +1820,8 @@ void ReadData::bondcoeffs()
		next = strchr(buf,'\n');
		*next = '\0';
		parse_coeffs(buf,NULL,0,1,boffset);
		if (narg == 0) error->all(FLERR,"Unexpected end of BondCoeffs section");
		if (narg == 0)
		error->all(FLERR,"Unexpected empty line in BondCoeffs section");
		force->bond->coeff(narg,arg);
		buf = next + 1;
		}
		@@ -1844,7 +1847,7 @@ void ReadData::anglecoeffs(int which)
		if (which == 0) parse_coeffs(buf,NULL,0,1,aoffset);
		else if (which == 1) parse_coeffs(buf,"bb",0,1,aoffset);
		else if (which == 2) parse_coeffs(buf,"ba",0,1,aoffset);
		if (narg == 0) error->all(FLERR,"Unexpected end of AngleCoeffs section");
		if (narg == 0) error->all(FLERR,"Unexpected empty line in AngleCoeffs section");
		force->angle->coeff(narg,arg);
		buf = next + 1;
		}
		@@ -1873,7 +1876,8 @@ void ReadData::dihedralcoeffs(int which)
		else if (which == 3) parse_coeffs(buf,"at",0,1,doffset);
		else if (which == 4) parse_coeffs(buf,"aat",0,1,doffset);
		else if (which == 5) parse_coeffs(buf,"bb13",0,1,doffset);
		if (narg == 0) error->all(FLERR,"Unexpected end of DihedralCoeffs section");
		if (narg == 0)
		error->all(FLERR,"Unexpected empty line in DihedralCoeffs section");
		force->dihedral->coeff(narg,arg);
		buf = next + 1;
		}
		@@ -1898,7 +1902,7 @@ void ReadData::impropercoeffs(int which)
		*next = '\0';
		if (which == 0) parse_coeffs(buf,NULL,0,1,ioffset);
		else if (which == 1) parse_coeffs(buf,"aa",0,1,ioffset);
		if (narg == 0) error->all(FLERR,"Unexpected end of ImproperCoeffs section");
		if (narg == 0) error->all(FLERR,"Unexpected empty line in ImproperCoeffs section");
		force->improper->coeff(narg,arg);
		buf = next + 1;
		}
		@@ -2092,6 +2096,10 @@ void ReadData::parse_coeffs(char line, const char addstr,
		word = strtok(NULL," \t\n\r\f");
		}

		// to avoid segfaults on empty lines

		if (narg == 0) return;

		if (noffset) {
		int value = force->inumeric(FLERR,arg[0]);
		sprintf(argoffset1,"%d",value+offset);

src/read_data.h

+10 −10

Original line number	Diff line number	Diff line
		@@ -533,25 +533,25 @@ E: Too many lines in one body in data file - boost MAXBODY
		MAXBODY is a setting at the top of the src/read_data.cpp file.
		Set it larger and re-compile the code.

		E: Unexpected end of PairCoeffs section
		E: Unexpected empty line in PairCoeffs section

		Read a blank line.
		Read a blank line where there should be coefficient data.

		E: Unexpected end of BondCoeffs section
		E: Unexpected empty line in BondCoeffs section

		Read a blank line.
		Read a blank line where there should be coefficient data.

		E: Unexpected end of AngleCoeffs section
		E: Unexpected empty line in AngleCoeffs section

		Read a blank line.
		Read a blank line where there should be coefficient data.

		E: Unexpected end of DihedralCoeffs section
		E: Unexpected empty line in DihedralCoeffs section

		Read a blank line.
		Read a blank line where there should be coefficient data.

		E: Unexpected end of ImproperCoeffs section
		E: Unexpected empty line in ImproperCoeffs section

		Read a blank line.
		Read a blank line where there should be coefficient data.

		E: Cannot open gzipped file

Admin message