Commit a38f1000 authored by Leonardo Solis's avatar Leonardo Solis
Browse files

#31, removed unused comments


Former-commit-id: 28bcf2b8
parent 701ce12d
...@@ -26,23 +26,12 @@ typedef struct ...@@ -26,23 +26,12 @@ typedef struct
unsigned char g1; unsigned char g1;
unsigned int g2; unsigned int g2;
unsigned int g3; unsigned int g3;
float grid_spacing; float grid_spacing;
unsigned int rotbondlist_length; unsigned int rotbondlist_length;
float coeff_elec; float coeff_elec;
float coeff_desolv; float coeff_desolv;
/* unsigned int num_of_energy_evals;
float* conformations_current; unsigned int num_of_generations;
float* energies_current;
float* conformations_next;
float* energies_next;
int* evals_of_new_entities;
unsigned int* prng_states;
*/
// L30nardoSV added
unsigned int num_of_energy_evals;
unsigned int num_of_generations;
unsigned int pop_size; unsigned int pop_size;
unsigned char num_of_genes; unsigned char num_of_genes;
float tournament_rate; float tournament_rate;
...@@ -51,9 +40,7 @@ typedef struct ...@@ -51,9 +40,7 @@ typedef struct
float abs_max_dmov; float abs_max_dmov;
float abs_max_dang; float abs_max_dang;
float lsearch_rate; float lsearch_rate;
float smooth;
float smooth;
unsigned int num_of_lsentities; unsigned int num_of_lsentities;
float rho_lower_bound; float rho_lower_bound;
float base_dmov_mul_sqrt3; float base_dmov_mul_sqrt3;
...@@ -62,15 +49,6 @@ typedef struct ...@@ -62,15 +49,6 @@ typedef struct
unsigned int max_num_of_iters; unsigned int max_num_of_iters;
float qasp; float qasp;
} Dockparameters; } Dockparameters;
// ----------------------------------------------------------------------
// L30nardoSV modified
// The original function does CUDA calls initializing const kernel data.
// We create a struct to hold those constants and return them <here>
// (<here> = where prepare_const_fields_for_gpu() was called),
// so we can send them to kernels from <here>, instead of from calcenergy.cpp
// as originally.
// ----------------------------------------------------------------------
#include "xcl2.hpp" #include "xcl2.hpp"
#define XILINX_MEMALIGN 4096 #define XILINX_MEMALIGN 4096
......
...@@ -6,7 +6,6 @@ ...@@ -6,7 +6,6 @@
#include <stdlib.h> #include <stdlib.h>
#include <math.h> #include <math.h>
// L30nardoSV
#include <libgen.h> #include <libgen.h>
// libgen.h contains basename() and dir() from a fullpath name // libgen.h contains basename() and dir() from a fullpath name
...@@ -31,7 +30,6 @@ using std::vector; ...@@ -31,7 +30,6 @@ using std::vector;
typedef struct typedef struct
//Struct which can contain all the important informations which derives from .gpf and .xyz files. //Struct which can contain all the important informations which derives from .gpf and .xyz files.
{ {
// L30nardoSV
char* grid_file_path; // Added to store the full path of the grid file char* grid_file_path; // Added to store the full path of the grid file
char receptor_name [64]; char receptor_name [64];
int size_xyz [3]; int size_xyz [3];
......
...@@ -293,7 +293,6 @@ void print_binary_string(unsigned long long to_print) ...@@ -293,7 +293,6 @@ void print_binary_string(unsigned long long to_print)
} }
} }
//L30nardoSV
// This was disabled for Windows // This was disabled for Windows
int stricmp(const char* str1, const char* str2) int stricmp(const char* str1, const char* str2)
//The function compares the two input strings and //The function compares the two input strings and
...@@ -330,8 +329,6 @@ int stricmp(const char* str1, const char* str2) ...@@ -330,8 +329,6 @@ int stricmp(const char* str1, const char* str2)
return isdifferent; return isdifferent;
} }
unsigned int genseed(unsigned int init) unsigned int genseed(unsigned int init)
//The function generates random numbers with a linear congruential generator, //The function generates random numbers with a linear congruential generator,
//using Visual C++ generator constants. //using Visual C++ generator constants.
......
...@@ -14,7 +14,6 @@ int get_gridinfo(const char* fldfilename, Gridinfo* mygrid) ...@@ -14,7 +14,6 @@ int get_gridinfo(const char* fldfilename, Gridinfo* mygrid)
//char* dir = dirname(ts1); //char* dir = dirname(ts1);
//char* filename = basename(ts1); //char* filename = basename(ts1);
// L30nardoSV
char* ts1 = strdup(fldfilename); char* ts1 = strdup(fldfilename);
mygrid->grid_file_path = dirname(ts1); mygrid->grid_file_path = dirname(ts1);
// ---------------------------------------------------- // ----------------------------------------------------
...@@ -128,7 +127,6 @@ int get_gridvalues_f(const Gridinfo* mygrid, float* fgrids) ...@@ -128,7 +127,6 @@ int get_gridvalues_f(const Gridinfo* mygrid, float* fgrids)
strcat(tempstr, "/"); strcat(tempstr, "/");
strcat(tempstr, mygrid->receptor_name); strcat(tempstr, mygrid->receptor_name);
// L30nardoSV
//strcpy(tempstr, mygrid->receptor_name); //strcpy(tempstr, mygrid->receptor_name);
//------------------------------------- //-------------------------------------
strcat(tempstr, "."); strcat(tempstr, ".");
...@@ -160,4 +158,3 @@ int get_gridvalues_f(const Gridinfo* mygrid, float* fgrids) ...@@ -160,4 +158,3 @@ int get_gridvalues_f(const Gridinfo* mygrid, float* fgrids)
return 0; return 0;
} }
...@@ -382,7 +382,6 @@ int get_bonds(Liganddata* myligand) ...@@ -382,7 +382,6 @@ int get_bonds(Liganddata* myligand)
} }
else else
{ {
// L30nardoSV
if (stricmp(atom_names[i], myligand->atom_types[atom_typeid1]) == 0) if (stricmp(atom_names[i], myligand->atom_types[atom_typeid1]) == 0)
//if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid1]) == 0) //if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid1]) == 0)
atom_nameid1 = i; atom_nameid1 = i;
...@@ -398,7 +397,6 @@ int get_bonds(Liganddata* myligand) ...@@ -398,7 +397,6 @@ int get_bonds(Liganddata* myligand)
} }
else else
{ {
// L30nardoSV
if (stricmp(atom_names[i], myligand->atom_types[atom_typeid2]) == 0) if (stricmp(atom_names[i], myligand->atom_types[atom_typeid2]) == 0)
//if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid2]) == 0) //if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid2]) == 0)
atom_nameid2 = i; atom_nameid2 = i;
...@@ -584,7 +582,6 @@ int get_VWpars(Liganddata* myligand, const double AD4_coeff_vdW, const double AD ...@@ -584,7 +582,6 @@ int get_VWpars(Liganddata* myligand, const double AD4_coeff_vdW, const double AD
//identifying atom type //identifying atom type
for (i=0; i<ATYPE_NUM; i++) for (i=0; i<ATYPE_NUM; i++)
// L30nardoSV
if (stricmp(atom_names [i], myligand->atom_types [atom_typeid1]) == 0) if (stricmp(atom_names [i], myligand->atom_types [atom_typeid1]) == 0)
//if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid1]) == 0) //if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid1]) == 0)
VWid_atype1 = i; VWid_atype1 = i;
...@@ -1191,7 +1188,6 @@ void change_conform_f(Liganddata* myligand, ...@@ -1191,7 +1188,6 @@ void change_conform_f(Liganddata* myligand,
refori_angle = cpu_ref_ori_angles[2]; refori_angle = cpu_ref_ori_angles[2];
// +++++++++++++++++++++++++++++++++++++++ // +++++++++++++++++++++++++++++++++++++++
// L30nardoSV
//printf("cpu_ref_ori_angles [0]: %f, cpu_ref_ori_angles [1]: %f, %f\n",cpu_ref_ori_angles [0],cpu_ref_ori_angles [1],PI); //printf("cpu_ref_ori_angles [0]: %f, cpu_ref_ori_angles [1]: %f, %f\n",cpu_ref_ori_angles [0],cpu_ref_ori_angles [1],PI);
//printf("refori_unitvec [0]:%f, refori_unitvec [1]:%f, refori_unitvec [2]:%f\n",refori_unitvec [0],refori_unitvec [1],refori_unitvec [2]); //printf("refori_unitvec [0]:%f, refori_unitvec [1]:%f, refori_unitvec [2]:%f\n",refori_unitvec [0],refori_unitvec [1],refori_unitvec [2]);
// +++++++++++++++++++++++++++++++++++++++ // +++++++++++++++++++++++++++++++++++++++
......
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