From 95e259fe712eddaa7b9e256141afbe5445f0748c Mon Sep 17 00:00:00 2001
From: jrgissing <jrgiss05@gmail.com>
Date: Sat, 26 May 2018 15:18:26 -0600
Subject: [PATCH] also include consistent type checks
---
src/molecule.cpp | 10 +++++-----
1 file changed, 5 insertions(+), 5 deletions(-)
diff --git a/src/molecule.cpp b/src/molecule.cpp
index d2491b5969..e9baf515c4 100644
--- a/src/molecule.cpp
+++ b/src/molecule.cpp
@@ -684,7 +684,7 @@ void Molecule::types(char *line)
}
for (int i = 0; i < natoms; i++)
- if (type[i] <= 0)
+ if (type[i] <= 0 || type[i] > atom->ntypes)
error->all(FLERR,"Invalid atom type in molecule file");
for (int i = 0; i < natoms; i++)
@@ -774,7 +774,7 @@ void Molecule::bonds(int flag, char *line)
if ((atom1 <= 0) || (atom1 > natoms) ||
(atom2 <= 0) || (atom2 > natoms) || (atom1 == atom2))
error->one(FLERR,"Invalid atom ID in Bonds section of molecule file");
- if (itype <= 0)
+ if (itype <= 0 || itype > atom->nbondtypes)
error->one(FLERR,"Invalid bond type in Bonds section of molecule file");
if (flag) {
@@ -834,7 +834,7 @@ void Molecule::angles(int flag, char *line)
(atom3 <= 0) || (atom3 > natoms) ||
(atom1 == atom2) || (atom1 == atom3) || (atom2 == atom3))
error->one(FLERR,"Invalid atom ID in Angles section of molecule file");
- if (itype <= 0)
+ if (itype <= 0 || itype > atom->nangletypes)
error->one(FLERR,"Invalid angle type in Angles section of molecule file");
if (flag) {
@@ -911,7 +911,7 @@ void Molecule::dihedrals(int flag, char *line)
(atom2 == atom3) || (atom2 == atom4) || (atom3 == atom4))
error->one(FLERR,
"Invalid atom ID in dihedrals section of molecule file");
- if (itype <= 0)
+ if (itype <= 0 || itype > atom->ndihedraltypes)
error->one(FLERR,
"Invalid dihedral type in dihedrals section of molecule file");
@@ -1000,7 +1000,7 @@ void Molecule::impropers(int flag, char *line)
(atom2 == atom3) || (atom2 == atom4) || (atom3 == atom4))
error->one(FLERR,
"Invalid atom ID in impropers section of molecule file");
- if (itype <= 0)
+ if (itype <= 0 || itype > atom->nimpropertypes)
error->one(FLERR,
"Invalid improper type in impropers section of molecule file");
--
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