Commit 9256b1d3 authored by Leonardo Solis's avatar Leonardo Solis

#31, cleaned and reordered #includes

parent 4aadd060
#ifndef CALCENERGY_H_
#define CALCENERGY_H_
#include <math.h>
#include <stdio.h>
#include "defines.h"
#include "ext_headers.h"
#include "miscellaneous.h"
#include "processligand.h"
#include "getparameters.h"
......@@ -50,10 +47,9 @@ typedef struct
float qasp;
} Dockparameters;
#include "xcl2.hpp"
// Aligning struc explictly to XILINX_MEMALIGN to avoid additional memcpy() calls
#define XILINX_MEMALIGN 4096
// Aligning struc to XILINX_MEMALIGN to avoid additional memcpy() calls
typedef struct
{
float atom_charges_const [MAX_NUM_OF_ATOMS] __attribute__ ((aligned (XILINX_MEMALIGN)));
......
#ifndef EXT_HEADERS_H_
#define EXT_HEADERS_H_
#include "defines.h"
#include <math.h> // calcenergy.h, getparameters.h, miscellaneous.h, processgrid.h, processresult.h
#include <stdio.h> // calcenergy.h, getparameters.h, miscellaneous.h, processgrid.h, processresult.h, performdocking.h
#include "xcl2.hpp" // calcenergy.h, performdocking.h
#include <string.h> // getparameters.h, processgrid.h, processresult.h
#include <time.h> // miscellaneous.h, performdocking.h, main.cpp
#include <stdlib.h> // miscellaneous.h, performdocking.h, processgrid.h
#include <ctype.h> // miscellaneous.h
#include <vector> // performdocking.h, processgrid.h
#include <assert.h> // performdocking.h
#include <cstring> // performdocking.h
#include <libgen.h> // processgrid.h
#include <sys/time.h> // main.cpp
#endif /* EXT_HEADERS_H_ */
#ifndef GETPARAMETERS_H_
#define GETPARAMETERS_H_
#include <math.h>
#include <string.h>
#include <stdio.h>
#include "defines.h"
#include "ext_headers.h"
#include "processligand.h"
#include "processgrid.h"
#include "miscellaneous.h"
......@@ -73,5 +69,3 @@ void gen_initpop_and_reflig(Dockpars* mypars,
const Gridinfo* mygrid);
#endif /* GETPARAMETERS_H_ */
#ifndef MISCELLANEOUS_H_
#define MISCELLANEOUS_H_
#include <time.h>
#include <stdio.h>
#include <math.h>
#include <stdlib.h>
#include <ctype.h>
#include "ext_headers.h"
#define PI 3.1415926535
......
#ifndef PERFORMDOCKING_H_
#define PERFORMDOCKING_H_
#include <stdio.h>
#include <stdlib.h>
#include <time.h>
//#include <math.h>
#include "ext_headers.h"
#include "processgrid.h"
#include "miscellaneous.h"
#include "processligand.h"
......@@ -13,8 +9,6 @@
#include "calcenergy.h"
#include "processresult.h"
#include "xcl2.hpp"
#include <vector>
using std::vector;
#define ELAPSEDSECS(stop,start) ((float) stop-start)/((float) CLOCKS_PER_SEC)
......@@ -33,4 +27,4 @@ double check_progress(int* evals_of_runs,
int max_num_of_gens,
int num_of_runs);
#endif /* PERFORMDOCKING_H_ */
#endif /* PERFORMDOCKING_H_ */
#ifndef PROCESSGRID_H_
#define PROCESSGRID_H_
#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include <math.h>
#include <libgen.h>
#include "ext_headers.h"
// libgen.h contains basename() and dir() from a fullpath name
// Specific: to open correctly grid map field fiels and associated files
......@@ -16,7 +11,6 @@
#include "miscellaneous.h"
// Added for allocating fgrids
#include <vector>
using std::vector;
#define getvalue_4Darr(mempoi, grinf, t, z, y, x) *(mempoi + (grinf).size_xyz[0] * (y + (grinf).size_xyz[1] * (z + (grinf).size_xyz[2]*t)) + x)
......
#ifndef PROCESSLIGAND_H_
#define PROCESSLIGAND_H_
#include "defines.h"
#include "ext_headers.h"
#include "processgrid.h"
#include "miscellaneous.h"
......
#ifndef PROCESSRESULT_H_
#define PROCESSRESULT_H_
#include <stdio.h>
#include <string.h>
#include <math.h>
#include "defines.h"
#include "ext_headers.h"
#include "processligand.h"
#include "getparameters.h"
......
//#include <stdio.h>
//#include <stdlib.h>
#include <time.h>
#include "ext_headers.h"
#include "processgrid.h"
//include "processresult.h"
#include "processligand.h"
#include "getparameters.h"
#include "performdocking.h"
// ------------------------
// Correct time measurement
// Moved to performdocking.cpp to skip measuring build time
#include <sys/time.h>
// ------------------------
int main(int argc, char* argv[])
......
......@@ -2,18 +2,9 @@
//// Correct time measurement
//// Moved from main.cpp to performdocking.cpp
//// to skip measuring build time
//#include <sys/time.h>
//// ------------------------
#include "performdocking.h"
#include <assert.h>
//#include <stdio.h>
//#include <stdlib.h>
//#include <math.h>
#include <cstring>
//// --------------------------------
//// Device memory buffers
//// --------------------------------
......
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