1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
|
// Copyright 2008 Nanorex, Inc. See LICENSE file for details.
#ifndef NX_NUMBERS_H
#define NX_NUMBERS_H
#ifdef WIN32
# ifdef _MSC_VER
# pragma warning(disable:4786)
# endif
#endif
#include <vector>
#include <iostream>
#include "math.h"
#include <stdio.h>
#include <stdlib.h>
namespace Nanorex {
typedef signed char NXInt8; // 8-bit signed integer
typedef unsigned char NXUint8; // 8-bit unsigned integer
typedef signed short NXInt16; // 16-bit signed integer
typedef unsigned short NXUint16; // 16-bit unsigned integer
typedef signed int NXInt32; // 32-bit signed integer
typedef unsigned int NXUint32; // 32-bit unsigned integer
typedef signed long NXInt64; // 64-bit signed integer
typedef unsigned long NXUint64; // 64-bit unsigned integer
// 32 bit IEEE float (1 sign, 8 exponent bits, 23 fraction bits)
typedef float NXFloat32;
// 64 bit IEEE float (1 sign, 11 exponent bits, 52 fraction bits)
typedef double NXFloat64;
// For counting NXAtoms, NXBonds, and NXMolecules
//typedef NXUint32 NXABMInt;
typedef std::vector<unsigned int>::size_type NXABMInt;
// For counting MoleculeSets
//typedef NXUint16 NXMSInt;
typedef std::vector<unsigned int>::size_type NXMSInt;
// For measurements and calculations
typedef NXFloat32 NXReal;
/* CLASS: RealUtils */
/**
* Utilities to manipulate Real numbers.
* @ingroup ChemistryDataModel, NanorexInterface
*/
class NXRealUtils {
public:
typedef enum {
YOTTA = 24, ZETTA = 21, EXA = 18, PETA = 15, TERA = 12, GIGA = 9,
MEGA = 6, KILO = 3, HECTO = 2, DECA = 1, NONE = 0, DECI = -1,
CENTI = -2, MILLI = -3, MICRO = -6, NANO = -9, PICO = -12,
FEMTO = -15, ATTO = -18, ZEPTO = -21, YOCTO = -24,
ANGSTROM = -10
} Scale;
static NXReal ToReal(const char* realChars);
static NXReal ToReal(const char* realChars, char* scaleString);
static void ToChar(const NXReal& number,
char* charBuffer,
int precision = 5);
static NXRealUtils::Scale ScaleStringToEnum(const char* scaleString);
};
} // Nanorex::
#endif
|
