Commit ddfe15fd authored by Leonardo Solis's avatar Leonardo Solis
Browse files

cleanup sources

parent 07ab0713
......@@ -8,7 +8,7 @@
#include <math.h>
#ifndef _WIN32
// L30nardoSV
// OCLADock
#include <libgen.h>
// libgen.h contains basename() and dir() from a fullpath name
......@@ -29,7 +29,7 @@
typedef struct
//Struct which can contain all the important informations which derives from .gpf and .xyz files.
{
// L30nardoSV
// OCLADock
#ifndef _WIN32
char* grid_file_path; // Added to store the full path of the grid file
#else
......
......@@ -294,7 +294,7 @@ void print_binary_string(unsigned long long to_print)
}
#ifndef _WIN32
//L30nardoSV
// OCLADock
// This was disabled for Windows
int stricmp(const char* str1, const char* str2)
//The function compares the two input strings and
......
......@@ -685,7 +685,7 @@ filled with clock() */
printf("\n\n");
// ===============================================================================
// L30nardoSV modified
// OCLADock modification
// http://www.cc.gatech.edu/~vetter/keeneland/tutorial-2012-02-20/08-opencl.pdf
// ===============================================================================
......
......@@ -15,7 +15,7 @@ int get_gridinfo(const char* fldfilename, Gridinfo* mygrid)
//char* filename = basename(ts1);
#ifndef _WIN32
// L30nardoSV
// OCLADock
char* ts1 = strdup(fldfilename);
mygrid->grid_file_path = dirname(ts1);
#else
......@@ -144,7 +144,7 @@ int get_gridvalues_f(const Gridinfo* mygrid, float** fgrids)
strcat(tempstr, "/");
strcat(tempstr, mygrid->receptor_name);
// L30nardoSV
// OCLADock
//strcpy(tempstr, mygrid->receptor_name);
//-------------------------------------
strcat(tempstr, ".");
......
......@@ -382,7 +382,7 @@ int get_bonds(Liganddata* myligand)
}
else
{
// L30nardoSV
// OCLADock
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;
......@@ -398,7 +398,7 @@ int get_bonds(Liganddata* myligand)
}
else
{
// L30nardoSV
// OCLADock
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;
......@@ -517,13 +517,13 @@ int get_VWpars(Liganddata* myligand, const double AD4_coeff_vdW, const double AD
//identifying atom types
for (i=0; i<ATYPE_NUM; i++)
//L30nardoSV
// OCLADock
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;
for (i=0; i<ATYPE_NUM; i++)
// L30nardoSV
// OCLADock
if (stricmp(atom_names[i], myligand->atom_types[atom_typeid2]) == 0)
//if (_stricmp(atom_names[i], myligand->atom_types[atom_typeid2]) == 0)
VWid_atype2 = i;
......@@ -567,7 +567,7 @@ int get_VWpars(Liganddata* myligand, const double AD4_coeff_vdW, const double AD
//identifying atom type
for (i=0; i<ATYPE_NUM; i++)
// L30nardoSV
// OCLADock
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;
......@@ -1116,7 +1116,7 @@ void change_conform_f(Liganddata* myligand,
refori_angle = cpu_ref_ori_angles[2];
// +++++++++++++++++++++++++++++++++++++++
// L30nardoSV
// OCLADock
//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]);
// +++++++++++++++++++++++++++++++++++++++
......
#ifndef BUFFER_OBJECTS_H
#define BUFFER_OBJECTS_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef COMMAND_QUEUES_H
#define COMMAND_QUEUES_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef CONTEXTS_H
#define CONTEXTS_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef DEVICES_H
#define DEVICES_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef IMPORT_BINARY_H
#define IMPORT_BINARY_H
// L30nardoSV
//#include <stdio.h>
//#include <stdlib.h>
#include "commonMacros.h"
......
#ifndef IMPORT_SOURCE_H
#define IMPORT_SOURCE_H
// L30nardoSV
//#include <stdio.h>
#include <iostream>
#include <string.h>
......
#ifndef KERNELS_H
#define KERNELS_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef PLATFORMS_H
#define PLATFORMS_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef PROGRAMS_H
#define PROGRAMS_H
// L30nardoSV
//#include <stdio.h>
//#include <CL/opencl.h>
#include "commonMacros.h"
......
#ifndef COMMON_MACROS_H
#define COMMON_MACROS_H
// L30nardoSV
//#include <malloc.h>
#include <stdio.h>
......
#ifndef LIST_ATTRIBUTES_H
#define LIST_ATTRIBUTES_H
// L30nardoSV
//#include <CL/opencl.h>
#include "commonMacros.h"
// Platforms
extern const char* attributePlatNames[5];
extern const cl_platform_info attributePlatTypes[5];
......
// L30nardoSV
#define CL_USE_DEPRECATED_OPENCL_2_0_APIS
#include "CommandQueues.h"
......
......@@ -51,7 +51,7 @@ int ImportSource(const char* filename,
const char *source = filename;
#endif
// L30nardoSV
// OCLADock
size_t sourceSize[] = { strlen(source) };
cl_program local_program;
......
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