double* extract_coulmn_double(char *str, int col_min, int col_max) {
/*
return pointer to array of size [(col_max-col_min)+1]
array contains floating point numbers range from from col_min to col_max of the given line/string.
For example;
---------------------------------------
double *out;
char *line = " 24 U-A 0.07 0.02 0.49 -2.48 -7.63 -0.38";
char *input=NULL;
input = strdup(line);
out = extract_coulmn_double(input, 3, 5);
printf("%15.3f%15.3f%15.3f\n",out[0], out[1], out[2]);
-----------------------------------------
OUTPUT $ 0.070 0.020 0.490
*/
double *data=NULL;
char *buffer=NULL, **str_data=NULL;
int size = (col_max-col_min)+1;
int i=0,n=0;
buffer = strdup(str);
remove_leading_white_space(buffer);
str_data = split_by_space(buffer, NULL);
data = (double *) malloc (sizeof(double)*size);
for(i=(col_min-1);i<col_max;i++){
data[n] = strtof(str_data[i],NULL);
n++;
}
free(buffer);
free(str_data);
return data;
}
bool is_first_numerics(char *str) {
char *buffer;
bool inumber=FALSE;
buffer = strdup(str);
remove_leading_white_space(buffer);
if(isdigit(buffer[0]))
inumber=TRUE;
if((buffer[0]=='-') && (isdigit(buffer[1])))
inumber=TRUE;
free(buffer);
return inumber;
}
double get_AtomWCAEnergy(char *line) {
double energy;
char **split_data=NULL;
int nwords, i;
remove_leading_white_space(line);
split_data = split_by_space(line, &nwords);
energy = strtod(split_data[5], NULL);
free(split_data);
return energy;
}
int* extract_coulmn_integer(char *str, int col_min, int col_max) {
/*
Similar to extract_coulmn_double but extract integer data.
*/
int *data=NULL;
char *buffer=NULL, **str_data=NULL;
int size = (col_max-col_min)+1;
int i=0,n=0;
buffer = strdup(str);
remove_leading_white_space(buffer);
str_data = split_by_space(buffer, NULL);
data = (int *) malloc (sizeof(int)*size);
for(i=(col_min-1);i<col_max;i++){
data[n] = atoi(str_data[i]);
n++;
}
return data;
}