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schwede
openstructure
Commits
97b1cf6f
Commit
97b1cf6f
authored
10 years ago
by
Studer Gabriel
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throw some error
parent
2700bfb3
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modules/mol/mm/src/forcefield.cc
+6
-0
6 additions, 0 deletions
modules/mol/mm/src/forcefield.cc
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modules/mol/mm/src/forcefield.cc
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View file @
97b1cf6f
...
...
@@ -427,6 +427,12 @@ BlockModifierPtr Forcefield::GetBlockModifier(const String& modifier_name) const
String
Forcefield
::
GetAtomType
(
const
String
&
res_name
,
const
String
&
atom_name
)
const
{
BuildingBlockPtr
block
=
this
->
GetBuildingBlock
(
res_name
);
if
(
!
block
){
std
::
stringstream
ss
;
ss
<<
"There is no building block for "
<<
res_name
;
ss
<<
"in the forcefield!"
;
throw
ost
::
Error
(
ss
.
str
());
}
return
block
->
GetType
(
atom_name
);
}
...
...
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