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Martin Kurečka
plumed2-fann
Commits
8b7007cf
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Commit
8b7007cf
authored
7 years ago
by
Giovanni Bussi
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regtests
parent
bda7c63a
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regtest/basic/rt-make-exceptions/main.cpp
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regtest/basic/rt-make-exceptions/main.cpp
regtest/basic/rt-make-exceptions/output.reference
+4
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4 additions, 0 deletions
regtest/basic/rt-make-exceptions/output.reference
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regtest/basic/rt-make-exceptions/main.cpp
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View file @
8b7007cf
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@@ -90,6 +90,8 @@ int main(){
test_line
(
ofs
,
plumed
,
"d: RMSD REFERENCE=test-too-many-atoms.pdb"
);
test_line
(
ofs
,
plumed
,
"d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_displace_weight.pdb"
);
test_line
(
ofs
,
plumed
,
"d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_align_weight.pdb"
);
test_line
(
ofs
,
plumed
,
"d: RMSD TYPE=SIMPLE REFERENCE=test_zero_displace_weight.pdb"
);
test_line
(
ofs
,
plumed
,
"d: RMSD TYPE=SIMPLE REFERENCE=test_zero_align_weight.pdb"
);
test_line
(
ofs
,
plumed
,
"d: DRMSD REFERENCE=missing.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0"
);
// these should not fail
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...
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regtest/basic/rt-make-exceptions/output.reference
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0
View file @
8b7007cf
...
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@@ -44,6 +44,10 @@ readInputLine d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_displace_weight.pdb
+++ catched
readInputLine d: RMSD TYPE=OPTIMAL REFERENCE=test_zero_align_weight.pdb
+++ catched
readInputLine d: RMSD TYPE=SIMPLE REFERENCE=test_zero_displace_weight.pdb
+++ catched
readInputLine d: RMSD TYPE=SIMPLE REFERENCE=test_zero_align_weight.pdb
+++ catched
readInputLine d: DRMSD REFERENCE=missing.pdb LOWER_CUTOFF=0.0 UPPER_CUTOFF=15.0
+++ catched
readInputLine RESTRAINT ARG=x(d) KAPPA=5 AT=0
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