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better checking of missing coeff entries in a data file

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This commit is contained in:
Axel Kohlmeyer
2014-02-17 08:12:42 -05:00
parent 2707ba9547
commit 7da8f12d33
1 changed files with 6 additions and 0 deletions
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6
src/read_data.cpp
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@ -1363,6 +1363,7 @@ void ReadData::paircoeffs()
next = strchr(buf,'\n');
*next = '\0';
parse_coeffs(buf,NULL,1);
if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
force->pair->coeff(narg,arg);
buf = next + 1;
}
@ -1388,6 +1389,7 @@ void ReadData::pairIJcoeffs()
next = strchr(buf,'\n');
*next = '\0';
parse_coeffs(buf,NULL,0);
if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
force->pair->coeff(narg,arg);
buf = next + 1;
}
@ -1409,6 +1411,7 @@ void ReadData::bondcoeffs()
next = strchr(buf,'\n');
*next = '\0';
parse_coeffs(buf,NULL,0);
if (narg == 0) error->all(FLERR,"Unexpected end of BondCoeffs section");
force->bond->coeff(narg,arg);
buf = next + 1;
}
@ -1432,6 +1435,7 @@ void ReadData::anglecoeffs(int which)
if (which == 0) parse_coeffs(buf,NULL,0);
else if (which == 1) parse_coeffs(buf,"bb",0);
else if (which == 2) parse_coeffs(buf,"ba",0);
if (narg == 0) error->all(FLERR,"Unexpected end of AngleCoeffs section");
force->angle->coeff(narg,arg);
buf = next + 1;
}
@ -1458,6 +1462,7 @@ void ReadData::dihedralcoeffs(int which)
else if (which == 3) parse_coeffs(buf,"at",0);
else if (which == 4) parse_coeffs(buf,"aat",0);
else if (which == 5) parse_coeffs(buf,"bb13",0);
if (narg == 0) error->all(FLERR,"Unexpected end of DihedralCoeffs section");
force->dihedral->coeff(narg,arg);
buf = next + 1;
}
@ -1480,6 +1485,7 @@ void ReadData::impropercoeffs(int which)
*next = '\0';
if (which == 0) parse_coeffs(buf,NULL,0);
else if (which == 1) parse_coeffs(buf,"aa",0);
if (narg == 0) error->all(FLERR,"Unexpected end of ImproperCoeffs section");
force->improper->coeff(narg,arg);
buf = next + 1;
}