#31, removed several host compilation warnings

ofdock_taskpar_xl/host/inc/getparameters.h

@@ -37,7 +37,7 @@ typedef struct
 	unsigned long max_num_of_iters;
 	unsigned long pop_size;
 		char  initpop_gen_or_loadfile;
-		char  gen_pdbs;
+	unsigned char gen_pdbs;
 		char  fldfile [128];
 		char  ligandfile [128];
 		float ref_ori_angles [3];

ofdock_taskpar_xl/host/src/calcenergy.cpp

@@ -433,7 +433,7 @@ int prepare_conststatic_fields_for_gpu(Liganddata* 	       myligand_reference,
 	float phi, theta, genrotangle;
 
 	//reference orientation quaternions
-	for (i=0; i<mypars->num_of_runs; i++)
+	for (unsigned int i=0; i<mypars->num_of_runs; i++)
 	{
 		//printf("Pregenerated angles for run %d: %f %f %f\n", i, cpu_ref_ori_angles[3*i], cpu_ref_ori_angles[3*i+1], cpu_ref_ori_angles[3*i+2]);
 		phi = cpu_ref_ori_angles[3*i]*DEG_TO_RAD;

ofdock_taskpar_xl/host/src/getparameters.cpp

@@ -522,7 +522,7 @@ void get_commandpars(const int* argc,
 
 	if (mypars->pop_size < mypars->gen_pdbs)
 	{
-		printf("Warning: value of -npdb argument igonred. Value mustn't be greater than the population size.\n");
+		printf("Warning: value of -npdb argument ignored. Value mustn't be greater than the population size.\n");
 		mypars->gen_pdbs = 1;
 	}
 
@@ -545,13 +545,17 @@ void gen_initpop_and_reflig(Dockpars*       mypars,
 //In addition, as part of reference orientation handling,
 //the function moves myligand to origo and scales it according to grid spacing.
 {
-	int entity_id, gene_id;
-	int gen_pop, gen_seeds;
+	//int entity_id;
+	//int gene_id;
+	int gen_pop;
+	//int gen_seeds;
 	FILE* fp;
+	/*
 	float init_orientation[MAX_NUM_OF_ROTBONDS+6];
+	*/
 	double movvec_to_origo[3];
 
-	int pop_size = mypars->pop_size;
+	unsigned int pop_size = mypars->pop_size;
 
 	//initial population
 	gen_pop = 0;
@@ -576,8 +580,8 @@ void gen_initpop_and_reflig(Dockpars*       mypars,
 			}
 			else
 			{
-				for (entity_id=0; entity_id<pop_size; entity_id++)
-					for (gene_id=0; gene_id<MAX_NUM_OF_ROTBONDS+6; gene_id++)
+				for (unsigned int entity_id=0; entity_id<pop_size; entity_id++)
+					for (unsigned char gene_id=0; gene_id<MAX_NUM_OF_ROTBONDS+6; gene_id++)
 						//fscanf(fp, "%f", &(init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id]));
 						fscanf(fp, "%f", &(init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id]));
 
@@ -598,13 +602,13 @@ void gen_initpop_and_reflig(Dockpars*       mypars,
 	//Generating initial population
 	if (gen_pop == 1)
 	{
-		for (entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
-			for (gene_id=0; gene_id<3; gene_id++)
+		for (unsigned int entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
+			for (unsigned char gene_id=0; gene_id<3; gene_id++)
 				//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]);
 
-		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++)
+		for (unsigned int entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
+			for (unsigned char gene_id=3; gene_id<MAX_NUM_OF_ROTBONDS+6; gene_id++)
 				if (gene_id == 4)
 					//init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = myrand()*180;
 					init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = myrand()*180;
@@ -623,8 +627,8 @@ void gen_initpop_and_reflig(Dockpars*       mypars,
 			printf("Warning: can't create initpop.txt.\n");
 		else
 		{
-			for (entity_id=0; entity_id<pop_size; entity_id++)
-				for (gene_id=0; gene_id<MAX_NUM_OF_ROTBONDS+6; gene_id++)
+			for (unsigned int entity_id=0; entity_id<pop_size; entity_id++)
+				for (unsigned char gene_id=0; gene_id<MAX_NUM_OF_ROTBONDS+6; gene_id++)
 					//fprintf(fp, "%f ", init_populations[entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id]);
 					fprintf(fp, "%f ", init_populations[entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id]);
 
@@ -639,12 +643,12 @@ void gen_initpop_and_reflig(Dockpars*       mypars,
 
 	//genotypes should contain x, y and z genes in grid spacing instead of Angstroms
 	//(but was previously generated in Angstroms since fdock does the same)
-	for (entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
-		for (gene_id=0; gene_id<3; gene_id++)
+	for (unsigned int entity_id=0; entity_id<pop_size*mypars->num_of_runs; entity_id++)
+		for (unsigned char gene_id=0; gene_id<3; gene_id++)
 			//init_populations [entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id] = init_populations [entity_id*GENOTYPE_LENGTH_IN_GLOBMEM+gene_id]/mygrid->spacing;
 			init_populations [entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id] = init_populations [entity_id*ACTUAL_GENOTYPE_LENGTH+gene_id]/mygrid->spacing;
 
-/*
+	/*
 	//changing initial orientation of reference ligand
 	for (uint i=0; i<38; i++)
 		switch (i)
@@ -660,12 +664,12 @@ void gen_initpop_and_reflig(Dockpars*       mypars,
 	
 	//change_conform_f(myligand, init_orientation, 0);
 	change_conform_f(myligand, init_orientation, ref_ori_angles, 0);
-*/
+	*/
 
 	//initial orientation will be calculated during docking,
 	//only the required angles are generated here,
 	//but the angles possibly read from file are ignored
-	for (int i=0; i<mypars->num_of_runs; i++)
+	for (unsigned int i=0; i<mypars->num_of_runs; i++)
 	{
 		ref_ori_angles[3*i]   = (float) (myrand()*360.0); 	//phi
 		ref_ori_angles[3*i+1] = (float) (myrand()*180.0);	//theta

ofdock_taskpar_xl/host/src/performdocking.cpp

@@ -803,7 +803,7 @@ filled with clock() */
 	#endif
 	#endif
 
-	printf("Docking runs to be executed: %u\n", mypars->num_of_runs); 
+	printf("Docking runs to be executed: %lu\n", mypars->num_of_runs); 
 	printf("Execution run: ");
 
 	for (unsigned int run_cnt = 0; run_cnt < mypars->num_of_runs; run_cnt++) {

ofdock_taskpar_xl/host/src/processligand.cpp

@@ -853,11 +853,16 @@ int gen_new_pdbfile(const char* oldpdb, const char* newpdb, const Liganddata* my
 	FILE* fp_new;
 	char tempstr [256];
 	char tempstr_short [32];
-	int acnt_oldlig, acnt_newlig;
+	int acnt_oldlig;
+	/*
+	int acnt_newlig;
+	*/
 	int i,j;
 
 	acnt_oldlig = 0;
+	/*
 	acnt_newlig = 0;
+	*/
 
 	fp_old = fopen(oldpdb, "r");
 	if (fp_old == NULL)

ofdock_taskpar_xl/host/src/processresult.cpp

@@ -8,7 +8,9 @@ void arrange_result(float* final_population, float* energies, const int pop_size
 //the population, the arrangement will be performed only on the first pop_size part of final_population.
 {
 	int i,j;
-	//float temp_genotype[GENOTYPE_LENGTH_IN_GLOBMEM];
+	/*
+	float temp_genotype[GENOTYPE_LENGTH_IN_GLOBMEM];
+	*/
 	float temp_genotype[ACTUAL_GENOTYPE_LENGTH];
 	float temp_energy;
 
@@ -16,12 +18,11 @@ void arrange_result(float* final_population, float* energies, const int pop_size
 		for (i=pop_size-2; i>=j; i--)		//arrange according to sum of inter- and intramolecular energies
 			if (energies[i] > energies[i+1])
 			{
-/*
+				/*
 				memcpy(temp_genotype, final_population+i*GENOTYPE_LENGTH_IN_GLOBMEM, GENOTYPE_LENGTH_IN_GLOBMEM*sizeof(float));
 				memcpy(final_population+i*GENOTYPE_LENGTH_IN_GLOBMEM, final_population+(i+1)*GENOTYPE_LENGTH_IN_GLOBMEM, GENOTYPE_LENGTH_IN_GLOBMEM*sizeof(float));
 				memcpy(final_population+(i+1)*GENOTYPE_LENGTH_IN_GLOBMEM, temp_genotype, GENOTYPE_LENGTH_IN_GLOBMEM*sizeof(float));
-*/
-
+				*/
 				memcpy(temp_genotype, final_population+i*ACTUAL_GENOTYPE_LENGTH, ACTUAL_GENOTYPE_LENGTH*sizeof(float));
 				memcpy(final_population+i*ACTUAL_GENOTYPE_LENGTH, final_population+(i+1)*ACTUAL_GENOTYPE_LENGTH, ACTUAL_GENOTYPE_LENGTH*sizeof(float));
 				memcpy(final_population+(i+1)*ACTUAL_GENOTYPE_LENGTH, temp_genotype, ACTUAL_GENOTYPE_LENGTH*sizeof(float));

[Leonardo Solis]

These two warnings still appear during host compilation (seem to be not so critical):

./host/src/calcenergy.cpp: In function ‘int gen_rotlist(Liganddata*, int*)’:
./host/src/calcenergy.cpp:559:61: warning: array subscript has type ‘char’ [-Wchar-subscripts]
       if (myligand->atom_rotbonds[atom_id][rotbond_candidate] != 0) //if the atom has to be rotated around current candidate
                                                             ^
./host/src/processresult.cpp: In function ‘void make_resfiles(float*, float*, const Liganddata*, const Liganddata*, const Dockpars*, int, int, const Gridinfo*, const float*, float*, const int*, char**, int, int, Ligandresult*)’:
./host/src/processresult.cpp:254:8: warning: unused variable ‘temp_genotype’ [-Wunused-variable]
  float temp_genotype[GENOTYPE_LENGTH_IN_GLOBMEM];
        ^~~~~~~~~~~~~