From 583a3deb5bd37d5e81e17761b32831a190192281 Mon Sep 17 00:00:00 2001
From: Daniel Spangberg <daniels@kemi.uu.se>
Date: Sat, 25 May 2013 12:17:20 +0200
Subject: Added debugging code to locate where velocities get trashed.


diff --git a/src/compression/tng_compress.c b/src/compression/tng_compress.c
index 3fad3df..cccab04 100644
--- a/src/compression/tng_compress.c
+++ b/src/compression/tng_compress.c
@@ -63,6 +63,16 @@ static int verify_input_data_float(float *x, int natoms, int nframes, float prec
 #if 1
   for (iframe=0; iframe<nframes; iframe++)
     for (i=0; i<natoms; i++)
+      {
+	printf("vel test: %d %d:",iframe,i);
+      for (j=0; j<3; j++)
+	printf(" %g",x[iframe*natoms*3+i*3+j]);
+      printf("\n");
+      }
+#endif
+#if 1
+  for (iframe=0; iframe<nframes; iframe++)
+    for (i=0; i<natoms; i++)
       for (j=0; j<3; j++)
 	if (fabs(x[iframe*natoms*3+i*3+j]/precision+0.5)>=MAX_FVAL)
 	  printf("ERROR. Too large value: %d %d %d: %g %g %g\n",iframe,i,j,x[iframe*natoms*3+i*3+j],precision,x[iframe*natoms*3+i*3+j]/precision/MAX_FVAL);
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c
index e6b4d8c..6c41b67 100644
--- a/src/lib/tng_io.c
+++ b/src/lib/tng_io.c
@@ -3734,6 +3734,19 @@ static tng_function_status tng_compress(tng_trajectory_t tng_data,
 
             if(type == TNG_FLOAT_DATA)
             {
+#if 1
+	      {
+		int iframe,i,j;
+		for (iframe=0; iframe<n_frames; iframe++)
+		  for (i=0; i<n_particles; i++)
+		    {
+		      printf("vel tng_io: %d %d: ",iframe,i);
+		      for (j=0; j<3; j++)
+			printf(" %g",((float*)start_pos)[iframe*n_particles*3+i*3+j]);
+		      printf("\n");
+		    }
+	      }
+#endif
                 dest = tng_compress_vel_float_find_algo(start_pos, n_particles,
                                                         n_frames,
                                                         0.01, 0,
diff --git a/src/tests/md_openmp_util.c b/src/tests/md_openmp_util.c
index 99ab60e..41ccff5 100644
--- a/src/tests/md_openmp_util.c
+++ b/src/tests/md_openmp_util.c
@@ -269,6 +269,21 @@ int main ( int argc, char *argv[] )
                 printf("Error adding data. %s: %d\n", __FILE__, __LINE__);
                 exit(1);
             }
+#if 1
+	    {
+	      int j,i;
+    for ( j = 0; j < np; j++ )
+    {
+      printf("vel in md for %d %d:",step,j);
+        for ( i = 0; i < nd; i++ )
+        {
+	  printf (" %g",vel[i+j*nd]);
+	}
+	printf("\n");
+    }
+	    }
+#endif
+
             if(tng_util_vel_write(traj, step, vel) != TNG_SUCCESS)
             {
                 printf("Error adding data. %s: %d\n", __FILE__, __LINE__);
@@ -742,5 +757,6 @@ void update ( int np, int nd, float pos[], float vel[], float f[],
         }
     }
 
+
     return;
 }
-- 
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