File: Dict.h

package info (click to toggle)
rdkit 201809.1%2Bdfsg-6
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 123,688 kB
  • sloc: cpp: 230,509; python: 70,501; java: 6,329; ansic: 5,427; sql: 1,899; yacc: 1,739; lex: 1,243; makefile: 445; xml: 229; fortran: 183; sh: 123; cs: 93
file content (328 lines) | stat: -rw-r--r-- 9,158 bytes parent folder | download
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
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
//
// Copyright (C) 2003-2008 Greg Landrum and Rational Discovery LLC
//
//  @@ All Rights Reserved @@
//  This file is part of the RDKit.
//  The contents are covered by the terms of the BSD license
//  which is included in the file license.txt, found at the root
//  of the RDKit source tree.
//
/*! \file Dict.h

  \brief Defines the Dict class

*/
#include <RDGeneral/export.h>
#ifndef __RD_DICT_H__
#define __RD_DICT_H__

#include <map>
#include <string>
#include <vector>
#include "RDValue.h"
#include "Exceptions.h"
#include <RDGeneral/BoostStartInclude.h>
#include <boost/lexical_cast.hpp>
#include <RDGeneral/BoostEndInclude.h>

namespace RDKit {
typedef std::vector<std::string> STR_VECT;

//! \brief The \c Dict class can be used to store objects of arbitrary
//!        type keyed by \c strings.
//!
//!  The actual storage is done using \c RDValue objects.
//!
class RDKIT_RDGENERAL_EXPORT Dict {
 public:
  struct Pair {
    std::string key;
    RDValue val;

    Pair() : key(), val() {}
    Pair(const std::string &s) : key(s), val() {}
    Pair(const std::string &s, const RDValue &v) : key(s), val(v) {}
  };

  typedef std::vector<Pair> DataType;

  Dict() : _data(), _hasNonPodData(false){};

  Dict(const Dict &other) : _data(other._data) {
    _hasNonPodData = other._hasNonPodData;
    if (other._hasNonPodData) { // other has non pod data, need to copy
      std::vector<Pair> data(other._data.size());
      _data.swap(data);
      for (size_t i = 0; i < _data.size(); ++i) {
        _data[i].key = other._data[i].key;
        copy_rdvalue(_data[i].val, other._data[i].val);
      }
    }
  }

  ~Dict() {
    reset();  // to clear pointers if necessary
  }

  void update(const Dict &other, bool preserveExisting = false) {
    if (!preserveExisting) {
      *this = other;
    } else {
      if (other._hasNonPodData) _hasNonPodData = true;
      for (size_t i = 0; i < other._data.size(); ++i) {
        const Pair &pair = other._data[i];
        Pair *target = 0;
        for (size_t i = 0; i < _data.size(); ++i) {
          if (_data[i].key == pair.key) {
            target = &_data[i];
            break;
          }
        }

        if (!target) {
          // need to create blank entry and copy
          _data.push_back(Pair(pair.key));
          copy_rdvalue(_data.back().val, pair.val);
        } else {
          // just copy
          copy_rdvalue(target->val, pair.val);
        }
      }
    }
  }

  Dict &operator=(const Dict &other) {
    if (this == &other) return *this;
    if (_hasNonPodData) reset();
    
    if (other._hasNonPodData) {
      std::vector<Pair> data(other._data.size());
      _data.swap(data);
      for (size_t i = 0; i < _data.size(); ++i) {
        _data[i].key = other._data[i].key;
        copy_rdvalue(_data[i].val, other._data[i].val);
      }
    } else {
      _data = other._data;
    }
    _hasNonPodData = other._hasNonPodData;    
    return *this;
  };

  //----------------------------------------------------------
  //! \brief Access to the underlying data.
  const DataType &getData() const { return _data; }
  DataType &getData() { return _data; }

  //----------------------------------------------------------

  //! \brief Returns whether or not the dictionary contains a particular
  //!        key.
  bool hasVal(const std::string &what) const {
    for (size_t i = 0; i < _data.size(); ++i) {
      if (_data[i].key == what) return true;
    }
    return false;
  };

  //----------------------------------------------------------
  //! Returns the set of keys in the dictionary
  /*!
     \return  a \c STR_VECT
  */
  STR_VECT keys() const {
    STR_VECT res;
    DataType::const_iterator item;
    for (item = _data.begin(); item != _data.end(); item++) {
      res.push_back(item->key);
    }
    return res;
  }

  //----------------------------------------------------------
  //! \brief Gets the value associated with a particular key
  /*!
     \param what  the key to lookup
     \param res   a reference used to return the result

     <B>Notes:</b>
      - If \c res is a \c std::string, every effort will be made
        to convert the specified element to a string using the
        \c boost::lexical_cast machinery.
      - If the dictionary does not contain the key \c what,
        a KeyErrorException will be thrown.
  */
  template <typename T>
  void getVal(const std::string &what, T &res) const {
    res = getVal<T>(what);
  };
  //! \overload
  template <typename T>
  T getVal(const std::string &what) const {
    for (size_t i = 0; i < _data.size(); ++i) {
      if (_data[i].key == what) {
        return from_rdvalue<T>(_data[i].val);
      }
    }
    throw KeyErrorException(what);
  }

  //! \overload
  void getVal(const std::string &what, std::string &res) const;

  //----------------------------------------------------------
  //! \brief Potentially gets the value associated with a particular key
  //!        returns true on success/false on failure.
  /*!
     \param what  the key to lookup
     \param res   a reference used to return the result

     <B>Notes:</b>
      - If \c res is a \c std::string, every effort will be made
        to convert the specified element to a string using the
        \c boost::lexical_cast machinery.
      - If the dictionary does not contain the key \c what,
        a KeyErrorException will be thrown.
  */

  template <typename T>
  bool getValIfPresent(const std::string &what, T &res) const {
    for (size_t i = 0; i < _data.size(); ++i) {
      if (_data[i].key == what) {
        res = from_rdvalue<T>(_data[i].val);
        return true;
      }
    }
    return false;
  };

  //! \overload
  bool getValIfPresent(const std::string &what, std::string &res) const;

  //----------------------------------------------------------
  //! \brief Sets the value associated with a key
  /*!

     \param what the key to set
     \param val  the value to store

     <b>Notes:</b>
        - If \c val is a <tt>const char *</tt>, it will be converted
           to a \c std::string for storage.
        - If the dictionary already contains the key \c what,
          the value will be replaced.
  */
  template <typename T>
  void setVal(const std::string &what, T &val) {
    _hasNonPodData = true;
    for (size_t i = 0; i < _data.size(); ++i) {
      if (_data[i].key == what) {
        RDValue::cleanup_rdvalue(_data[i].val);
        _data[i].val = val;
        return;
      }
    }
    _data.push_back(Pair(what, val));
  };

  template <typename T>
  void setPODVal(const std::string &what, T val) {
    // don't change the hasNonPodData status
    for (size_t i = 0; i < _data.size(); ++i) {
      if (_data[i].key == what) {
        RDValue::cleanup_rdvalue(_data[i].val);
        _data[i].val = val;
        return;
      }
    }
    _data.push_back(Pair(what, val));
  };

  void setVal(const std::string &what, bool val) { setPODVal(what, val); }

  void setVal(const std::string &what, double val) { setPODVal(what, val); }

  void setVal(const std::string &what, float val) { setPODVal(what, val); }

  void setVal(const std::string &what, int val) { setPODVal(what, val); }

  void setVal(const std::string &what, unsigned int val) {
    setPODVal(what, val);
  }

  //! \overload
  void setVal(const std::string &what, const char *val) {
    std::string h(val);
    setVal(what, h);
  }

  //----------------------------------------------------------
  //! \brief Clears the value associated with a particular key,
  //!     removing the key from the dictionary.
  /*!

     \param what the key to clear

   <b>Notes:</b>
      - If the dictionary does not contain the key \c what,
        a KeyErrorException will be thrown.
  */
  void clearVal(const std::string &what) {
    for (DataType::iterator it = _data.begin(); it < _data.end(); ++it) {
      if (it->key == what) {
        if (_hasNonPodData) {
          RDValue::cleanup_rdvalue(it->val);
        }
        _data.erase(it);
        return;
      }
    }
    throw KeyErrorException(what);
  };

  //----------------------------------------------------------
  //! \brief Clears all keys (and values) from the dictionary.
  //!
  void reset() {
    if (_hasNonPodData) {
      for (size_t i = 0; i < _data.size(); ++i) {
        RDValue::cleanup_rdvalue(_data[i].val);
      }
    }
    DataType data;
    _data.swap(data);
  };

  //----------------------------------------------------------
  //! Converts a \c RDAny to type \c T
  /*!
     \param arg a \c RDAny reference

     \returns the converted object of type \c T
  */
  /*
  template <typename T>
      T fromany(const RDAny &arg) const {
    return from_rdany<T>(arg);
  }
  */
  //----------------------------------------------------------
  //! Converts an instance of type \c T to \c RDAny
  /*!
     \param arg the object to be converted

     \returns a \c RDAny instance
  */
  /*
  template <typename T>
      RDAny toany(T arg) const {
    return RDAny(arg);
  };
  */
 private:
  DataType _data;       //!< the actual dictionary
  bool _hasNonPodData;  // if true, need a deep copy
                        //  (copy_rdvalue)
};
}
#endif