source: src/Formula.hpp@ d03bb1

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Last change on this file since d03bb1 was d03bb1, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Added methods to produce formulas from strings
  • Property mode set to 100644
File size: 3.1 KB
Line 
1/*
2 * Formula.hpp
3 *
4 * Created on: Jul 21, 2010
5 * Author: crueger
6 */
7
8#ifndef FORMULA_HPP_
9#define FORMULA_HPP_
10
11#include <vector>
12#include <iosfwd>
13#include <iterator>
14
15#include "Exceptions/ParseError.hpp"
16
17#include "types.hpp"
18
19class element;
20
21class Formula
22{
23public:
24 typedef element* key_type;
25 typedef unsigned int mapped_type;
26 typedef std::pair<key_type, mapped_type> value_type;
27 typedef std::vector<unsigned int> set_t;
28
29 template <class result_type>
30 class _iterator : public std::iterator <std::bidirectional_iterator_tag,
31 result_type>
32 {
33 public:
34 _iterator(set_t&);
35 _iterator(set_t&,size_t);
36 ~_iterator();
37 _iterator &operator=(const _iterator &);
38 bool operator==(const _iterator&);
39 bool operator!=(const _iterator&);
40 _iterator operator++();
41 _iterator operator++(int);
42 _iterator operator--();
43 _iterator operator--(int);
44 result_type operator*();
45 result_type *operator->();
46 private:
47 set_t *set;
48 size_t pos; // cannot use an iterator, because we need a position to access the element
49 };
50
51 typedef _iterator<value_type> iterator;
52 typedef _iterator<const value_type> const_iterator;
53 typedef std::reverse_iterator<iterator> reverse_iterator;
54 typedef std::reverse_iterator<const_iterator> const_reverse_iterator;
55
56 Formula();
57 Formula(const std::string&);
58 Formula(const Formula&);
59 virtual ~Formula();
60
61 Formula &operator=(const Formula&);
62
63 std::string toString() const;
64 void fromString(const std::string&) throw(ParseError);
65 bool checkOut(std::ostream*) const;
66
67 unsigned int getElementCount();
68 bool hasElement(const element*) const;
69 bool hasElement(atomicNumber_t) const;
70 bool hasElement(const std::string&) const;
71
72 void operator+=(const element*);
73 void operator+=(atomicNumber_t);
74 void operator+=(const std::string&);
75
76 void operator-=(const element*);
77 void operator-=(atomicNumber_t);
78 void operator-=(const std::string&);
79
80 void addElements(const element*,unsigned int);
81 void addElements(atomicNumber_t,unsigned int);
82 void addElements(const std::string&,unsigned int);
83
84 // only const versions, because someone might try to increment a previously
85 // not set element
86 const unsigned int &operator[](const element*) const;
87 const unsigned int &operator[](atomicNumber_t) const;
88 const unsigned int &operator[](std::string) const;
89
90 bool operator==(const Formula&) const;
91 bool operator!=(const Formula&) const;
92
93 iterator begin();
94 const_iterator begin() const;
95 iterator end();
96 const_iterator end() const;
97
98 reverse_iterator rbegin();
99 const_reverse_iterator rbegin() const;
100 reverse_iterator rend();
101 const_reverse_iterator rend() const;
102
103 void clear();
104
105private:
106 mutable set_t elementCounts; // we might need to resize even at const places
107 unsigned int numElements;
108};
109
110std::ostream &operator<<(std::ostream&,const Formula&);
111
112#endif /* FORMULA_HPP_ */
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