Commit 22da623d authored by Leonardo Solis's avatar Leonardo Solis
Browse files

#38, removed more unused annotations

parent 1a080445

host/inc/processgrid.h

+2 −2
Original line number Diff line number Diff line
@@ -32,7 +32,7 @@ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. 
#include <math.h>



#ifndef _WIN32

// OCLADock



#include <libgen.h>



// libgen.h contains basename() and dir() from a fullpath name
@@ -54,7 +54,7 @@ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. 
typedef struct

//Struct which can contain all the important informations which derives from .gpf and .xyz files.

{

// OCLADock



#ifndef _WIN32

	char*  grid_file_path;	  // Added to store the full path of the grid file

#else

host/src/performdocking.cpp

+1 −1
Original line number Diff line number Diff line
@@ -1095,7 +1095,7 @@ filled with clock() */ 
	printf("\n\n");



	// ===============================================================================

	// OCLADock modification

	// Modification based on:

	// http://www.cc.gatech.edu/~vetter/keeneland/tutorial-2012-02-20/08-opencl.pdf

	// ===============================================================================

host/src/processligand.cpp

+2 −5
Original line number Diff line number Diff line
@@ -1253,7 +1253,6 @@ void change_conform_f(Liganddata* myligand, 
	refori_angle = cpu_ref_ori_angles[2];



// +++++++++++++++++++++++++++++++++++++++

// 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]);

// +++++++++++++++++++++++++++++++++++++++
@@ -1367,7 +1366,6 @@ void change_conform_f(Liganddata* myligand, 
	refori_shoemake [2] = (cpu_ref_ori_angles [2])*(2*PI);



// +++++++++++++++++++++++++++++++++++++++

// 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]);

// +++++++++++++++++++++++++++++++++++++++
@@ -1835,7 +1833,7 @@ void calc_interE_peratom_f(const Gridinfo* mygrid, 
	//return interE;

}



// OCLADock original host "calc_intraE_f" function

// Original host "calc_intraE_f" function

#if 0

float calc_intraE_f(const Liganddata* myligand,

		    float dcutoff,
@@ -1960,8 +1958,7 @@ float calc_intraE_f(const Liganddata* myligand, 
}

#endif



// OCLADock host "calc_intraE_f" function

// corrected after smoothing was added

// Corrected host "calc_intraE_f" function after smoothing was added

float calc_intraE_f(const Liganddata* myligand,

		          float       dcutoff,

		          float       smooth,