"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer2/CifFile.h" between
pymol-v1.8.6.0.tar.bz2 and pymol-v2.1.0.tar.bz2

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

CifFile.h  (pymol-v1.8.6.0.tar.bz2)	:	CifFile.h  (pymol-v2.1.0.tar.bz2)
skipping to change at line 12		skipping to change at line 12
* CIF tokenizer		* CIF tokenizer
*		*
* (c) 2014 Schrodinger, Inc.		* (c) 2014 Schrodinger, Inc.
*/		*/
#ifndef _H_CIFFILE		#ifndef _H_CIFFILE
#define _H_CIFFILE		#define _H_CIFFILE
#include <vector>		#include <vector>
#include <map>		#include <map>
#include <stdexcept>
#include <string.h>		#include <string.h>
#ifdef WIN32
#define strcasecmp(s1, s2) _stricmp(s1, s2)
#define strncasecmp(s1, s2, n) _strnicmp(s1, s2, n)
#endif
/*		/*
* C string comparison class		* C string comparison class
*/		*/
struct strless2_t {		struct strless2_t {
bool operator()(const char * a, const char * b) const {		bool operator()(const char * a, const char * b) const {
return strcmp(a, b) < 0;		return strcmp(a, b) < 0;
}		}
};		};
// cif data types		// cif data types
skipping to change at line 63		skipping to change at line 57
private:		private:
char * contents;		char * contents;
std::vector<char*> tokens;		std::vector<char*> tokens;
// methods		// methods
bool parse();		bool parse();
};		};
/*		/*
* Class to store CIF loops. Only for parsing, do not use in any higher level
* reading functions.
*/
class cif_loop {
public:
int ncols;
int nrows;
const char **values;
// methods
const char * get_value_raw(int row, int col) const;
};
/*
* High-level access to CIF arrays		* High-level access to CIF arrays
*/		*/
class cif_array {		class cif_array {
		friend class cif_file;
private:		private:
// column index, -1 if not in loop		// column index, -1 if not in loop
short col;		short col;
// pointer to either loop or single value		// pointer to either loop or single value
union {		union {
const cif_loop * loop;		const cif_loop * loop;
const char * value;		const char * value;
} pointer;		} pointer;
// methods		// methods
const char * get_value_raw(int row = 0) const;
const char * get_value(int row = 0) const;		const char * get_value(int row = 0) const;
public:
// point this array to a loop (only for parsing)		// point this array to a loop (only for parsing)
void set_loop(const cif_loop * loop, short col_) {		void set_loop(const cif_loop * loop, short col_) {
col = col_;		col = col_;
pointer.loop = loop;		pointer.loop = loop;
};		};
// point this array to a single value (only for parsing)		// point this array to a single value (only for parsing)
void set_value(const char * value) {		void set_value(const char * value) {
col = -1;		col = -1;
pointer.value = value;		pointer.value = value;
};		};
		public:
// constructor		// constructor
cif_array() {		cif_array() {
};		};
// constructor (only needed for EMPTY_ARRAY)		// constructor (only needed for EMPTY_ARRAY)
cif_array(const char * value) {		cif_array(const char * value) {
set_value(value);		set_value(value);
};		};
// get the number of elements in this array		// get the number of elements in this array
int get_nrows() const {		int get_nrows() const;
return (col < 0) ? 1 : pointer.loop->nrows;
};
// get element as string, integer or double. If index is out of bounds,		// get element as string, integer or double. If index is out of bounds,
// then return a default value.		// then return a default value.
const char * as_s(int row = 0) const;		const char * as_s(int row = 0) const;
int as_i(int row = 0, int d = 0) const;		int as_i(int row = 0, int d = 0) const;
double as_d(int row = 0, double d = 0.0) const;		double as_d(int row = 0, double d = 0.0) const;
// true if value in ['.', '?']		// true if value in ['.', '?']
bool is_missing(int row = 0) const {		bool is_missing(int row = 0) const {
return !get_value(row);		return !get_value(row);
}		}
		// true if all values in ['.', '?']
		bool is_missing_all() const;
// templated getter		// templated getter
template <typename T> T as(int row = 0) const;		template <typename T> T as(int row = 0) const;
// get a copy of the entire array		// get a copy of the entire array
template <typename T> std::vector<T> to_vector() const {		template <typename T> std::vector<T> to_vector() const {
int n = get_nrows();		int n = get_nrows();
std::vector<T> v;		std::vector<T> v;
v.reserve(n);		v.reserve(n);
for (int i = 0; i < n; ++i)		for (int i = 0; i < n; ++i)
v.push_back(as<T>(i));		v.push_back(as<T>(i));
End of changes. 9 change blocks.
25 lines changed or deleted		7 lines changed or added

---