Commit 32e3431b authored by Leonardo Solis's avatar Leonardo Solis

#31, removed unused #defines

parent b61b9546
......@@ -63,38 +63,4 @@
cube[0][1][0]*weights[0][1][0] +cube[1][1][0]*weights[1][1][0] + \
cube[0][0][1]*weights[0][0][1] +cube[1][0][1]*weights[1][0][1] + \
cube[0][1][1]*weights[0][1][1] +cube[1][1][1]*weights[1][1][1])
// -----------------------------------------------------------------------------
// IMPROVEMENTS OVER PECHAN'S IMPLEMENTATION
// -----------------------------------------------------------------------------
//#define NATIVE_PRECISION // if disabled, then full precision,
// improvement: 152 (disabled) to 75 (enabled) sec
//#define HALF_PRECISION // if disabled, then full precision,
//no improvement: 152 (disabled) to 153 (enabled) sec
#define ASYNC_COPY // if disabled, then original approach of copy,
// no improvement: 76 sec both
#define IMPROVE_GRID // if disabled, then original approach to calculate grid contribution
// improvement from 78 (disabled) to 76 (enabled) sec
#define MAPPED_COPY // if disabled, then mem copy inside main computation loop
// doesn't use DMA engine
// improvement: 77 (disabled) to 76 (enabled) sec
//#define REPRO
// -----------------------------------------------------------------------------
// Enable to debug kernels using printf
// Disable them to save RAM resources
//#define DEBUG_ACTIVE_KERNEL
//#define DEBUG_KRNL_GA
//#define DEBUG_KRNL_IC
//
//
//#define DEBUG_KRNL_CONFORM
//#define DEBUG_KRNL_INTERE
//#define DEBUG_KRNL_INTRAE
//#define DEBUG_KRNL_STORE
#endif /* DEFINES_H_ */
......@@ -600,43 +600,22 @@ void gen_initpop_and_reflig(Dockpars* mypars,
{
for (entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
for (gene_id=0; gene_id<3; gene_id++)
#if defined (REPRO)
//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = 30.1186;
init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = 30.1186;
#else
//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = (float) myrand()*(mygrid->size_xyz_angstr[gene_id]);
init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = (float) myrand()*(mygrid->size_xyz_angstr[gene_id]);
#endif
for (entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
for (gene_id=3; gene_id<MAX_NUM_OF_ROTBONDS+6; gene_id++)
if (gene_id == 4)
#if defined (REPRO)
//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = 26.0555;
init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = 26.0555;
#else
//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = myrand()*180;
init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = myrand()*180;
#endif
else
#if defined (REPRO)
//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = 22.0452;
init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = 22.0452;
#else
//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = myrand()*360;
init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = myrand()*360;
#endif
//generating reference orientation angles
#if defined (REPRO)
mypars->ref_ori_angles[0] = 190.279;
mypars->ref_ori_angles[1] = 190.279;
mypars->ref_ori_angles[2] = 190.279;
#else
mypars->ref_ori_angles[0] = (float) floor(myrand()*360*100)/100.0;
mypars->ref_ori_angles[1] = (float) floor(myrand()*360*100)/100.0;
mypars->ref_ori_angles[2] = (float) floor(myrand()*360*100)/100.0;
#endif
//Writing first initial population to initpop.txt
fp = fopen("initpop.txt", "w");
......@@ -688,15 +667,9 @@ void gen_initpop_and_reflig(Dockpars* mypars,
//but the angles possibly read from file are ignored
for (int i=0; i<mypars->num_of_runs; i++)
{
#if defined (REPRO)
ref_ori_angles[3*i] = 190.279;
ref_ori_angles[3*i+1] = 90.279;
ref_ori_angles[3*i+2] = 190.279;
#else
ref_ori_angles[3*i] = (float) (myrand()*360.0); //phi
ref_ori_angles[3*i+1] = (float) (myrand()*180.0); //theta
ref_ori_angles[3*i+2] = (float) (myrand()*360.0); //angle
#endif
}
get_movvec_to_origo(myligand, movvec_to_origo);
......
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