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authorMagnus Lundborg <lundborg.magnus@gmail.com>2013-01-30 15:20:30 (GMT)
committerMagnus Lundborg <lundborg.magnus@gmail.com>2013-01-30 15:20:30 (GMT)
commita02d030e2862feacecf580c909a25adce8ef64ed (patch)
tree9f192a331a492bdb389e27033231b693ab928013
parent20f305f0c6577be1c95de373d0fe07998334234d (diff)
Fix bug in chain_name_of_particle_get
-rw-r--r--src/lib/tng_io.c2
-rw-r--r--src/tests/tng_io_read_pos.c7
2 files changed, 6 insertions, 3 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c
index e6f2956..fd44205 100644
--- a/src/lib/tng_io.c
+++ b/src/lib/tng_io.c
@@ -5573,7 +5573,7 @@ tng_function_status tng_chain_name_of_particle_nr_get
{
return(TNG_FAILURE);
}
- if(!atom->residue || atom->residue->chain)
+ if(!atom->residue || !atom->residue->chain)
{
return(TNG_FAILURE);
}
diff --git a/src/tests/tng_io_read_pos.c b/src/tests/tng_io_read_pos.c
index a67f14c..af5e828 100644
--- a/src/tests/tng_io_read_pos.c
+++ b/src/tests/tng_io_read_pos.c
@@ -27,7 +27,7 @@ int main(int argc, char **argv)
int64_t particle = 0;
// Set a default frame range
int first_frame = 0, last_frame = 50;
- char atom_name[64], res_name[64];
+ char atom_name[64], res_name[64], chain_name[64];
if(argc <= 1)
{
@@ -70,9 +70,12 @@ int main(int argc, char **argv)
TNG_SUCCESS &&
tng_residue_name_of_particle_nr_get(traj, particle, res_name,
sizeof(res_name)) ==
+ TNG_SUCCESS &&
+ tng_chain_name_of_particle_nr_get(traj, particle, chain_name,
+ sizeof(chain_name)) ==
TNG_SUCCESS)
{
- printf("Particle: %s (%s)\n", atom_name, res_name);
+ printf("Particle: %s (%s: %s)\n", atom_name, chain_name, res_name);
}
else
{
contact: Jan Huwald // Impressum