#include <math.h>
-#include "tngio.h"
-#include "trx.h"
-
#ifdef GMX_USE_TNG
#include "tng/tng_io.h"
#endif
+#include "gromacs/fileio/tngio.h"
+#include "gromacs/fileio/trx.h"
#include "gromacs/math/units.h"
#include "gromacs/utility/common.h"
#include "gromacs/utility/fatalerror.h"
"FORCES", "LAMBDAS"
};
+ typedef tng_function_status (*set_writing_interval_func_pointer)(tng_trajectory_t,
+ const gmx_int64_t,
+ const gmx_int64_t,
+ const gmx_int64_t,
+ const char*,
+ const char,
+ const char);
+#ifdef GMX_DOUBLE
+ set_writing_interval_func_pointer set_writing_interval = tng_util_generic_write_interval_double_set;
+#else
+ set_writing_interval_func_pointer set_writing_interval = tng_util_generic_write_interval_set;
+#endif
gmx_tng_open(filename, mode, output);
{
case TNG_TRAJ_POSITIONS:
case TNG_TRAJ_VELOCITIES:
- tng_util_generic_write_interval_set(*output, interval, 3, fallbackIds[i],
- fallbackNames[i], TNG_PARTICLE_BLOCK_DATA,
- compression_type);
+ set_writing_interval(*output, interval, 3, fallbackIds[i],
+ fallbackNames[i], TNG_PARTICLE_BLOCK_DATA,
+ compression_type);
break;
case TNG_TRAJ_FORCES:
- tng_util_generic_write_interval_set(*output, interval, 3, fallbackIds[i],
- fallbackNames[i], TNG_PARTICLE_BLOCK_DATA,
- TNG_GZIP_COMPRESSION);
+ set_writing_interval(*output, interval, 3, fallbackIds[i],
+ fallbackNames[i], TNG_PARTICLE_BLOCK_DATA,
+ TNG_GZIP_COMPRESSION);
break;
case TNG_TRAJ_BOX_SHAPE:
- tng_util_generic_write_interval_set(*output, interval, 9, fallbackIds[i],
- fallbackNames[i], TNG_NON_PARTICLE_BLOCK_DATA,
- TNG_GZIP_COMPRESSION);
+ set_writing_interval(*output, interval, 9, fallbackIds[i],
+ fallbackNames[i], TNG_NON_PARTICLE_BLOCK_DATA,
+ TNG_GZIP_COMPRESSION);
break;
case TNG_GMX_LAMBDA:
- tng_util_generic_write_interval_set(*output, interval, 1, fallbackIds[i],
- fallbackNames[i], TNG_NON_PARTICLE_BLOCK_DATA,
- TNG_GZIP_COMPRESSION);
+ set_writing_interval(*output, interval, 1, fallbackIds[i],
+ fallbackNames[i], TNG_NON_PARTICLE_BLOCK_DATA,
+ TNG_GZIP_COMPRESSION);
default:
continue;
}