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RDValue-taggedunion.h
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1 // Copyright (c) 2015, Novartis Institutes for BioMedical Research Inc.
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31 #include <RDGeneral/export.h>
32 #ifndef RDKIT_RDVALUE_TAGGED_UNION_H
33 #define RDKIT_RDVALUE_TAGGED_UNION_H
34 
35 #include <cassert>
36 #include "Invariant.h"
37 #include <iostream>
38 #include <iomanip>
39 #include <sstream>
40 #include <vector>
41 
43 #include <cstdint>
44 #include <boost/any.hpp>
45 #include <boost/utility.hpp>
46 #include <boost/lexical_cast.hpp>
47 #include <boost/type_traits/is_floating_point.hpp>
49 #include "LocaleSwitcher.h"
50 
51 #define RDVALUE_HASBOOL
52 
53 namespace RDKit {
54 
55 // RDValue does not dynamically create POD types (kind of like
56 // cdiggins::any) However, it doesn't use RTTI type info
57 // directly, it uses a companion short valued type
58 // to determine what to do.
59 // For unregistered types, it falls back to boost::any.
60 // The Size of an RDAny is (sizeof(double) + sizeof(short) == 10 bytes
61 // (aligned to actually 16 so hard to pass as value type)
62 //
63 // For the sake of compatibility, errors throw boost::bad_any_cast
64 //
65 // Examples:
66 //
67 // RDAny v(2.);
68 // v = 1;
69 // std::vector<double> d;
70 // v == d;
71 // v.asDoubleVect().push_back(4.)
72 // rdany_cast<std::vector<double>(v).push_back(4.)
73 //
74 // Falls back to boost::any for non registered types
75 // v = boost::shared_ptr<ROMol>(new ROMol(m));
76 //
77 
78 // RDValue does not manange memory of non-pod data
79 // this must be done externally (string, Any, vector...)
80 // Tagged union
81 
82 namespace RDTypeTag {
83 const short EmptyTag = 0;
84 const short IntTag = 1;
85 const short DoubleTag = 2;
86 const short StringTag = 3;
87 const short FloatTag = 4;
88 const short BoolTag = 5;
89 const short UnsignedIntTag = 6;
90 const short AnyTag = 7;
91 const short VecDoubleTag = 8;
92 const short VecFloatTag = 9;
93 const short VecIntTag = 10;
94 const short VecUnsignedIntTag = 11;
95 const short VecStringTag = 12;
96 template <class T>
97 inline short GetTag() {
98  return AnyTag;
99 }
100 template <>
101 inline short GetTag<double>() {
102  return DoubleTag;
103 }
104 template <>
105 inline short GetTag<float>() {
106  return FloatTag;
107 }
108 template <>
109 inline short GetTag<int>() {
110  return IntTag;
111 }
112 template <>
113 inline short GetTag<unsigned int>() {
114  return UnsignedIntTag;
115 }
116 template <>
117 inline short GetTag<bool>() {
118  return BoolTag;
119 }
120 template <>
121 inline short GetTag<std::string>() {
122  return StringTag;
123 }
124 template <>
125 inline short GetTag<std::vector<double>>() {
126  return VecDoubleTag;
127 }
128 template <>
129 inline short GetTag<std::vector<float>>() {
130  return VecFloatTag;
131 }
132 template <>
133 inline short GetTag<std::vector<int>>() {
134  return VecIntTag;
135 }
136 template <>
137 inline short GetTag<std::vector<unsigned int>>() {
138  return VecUnsignedIntTag;
139 }
140 template <>
141 inline short GetTag<std::vector<std::string>>() {
142  return VecStringTag;
143 }
144 template <>
145 inline short GetTag<boost::any>() {
146  return AnyTag;
147 }
148 
149 namespace detail {
150 union Value {
151  double d;
152  float f;
153  int i;
154  unsigned u;
155  bool b;
156  std::string *s;
157  boost::any *a;
158  std::vector<double> *vd;
159  std::vector<float> *vf;
160  std::vector<int> *vi;
161  std::vector<unsigned int> *vu;
162  std::vector<std::string> *vs;
163 
164  inline Value() {}
165  inline Value(double v) : d(v) {}
166  inline Value(float v) : f(v) {}
167  inline Value(int v) : i(v) {}
168  inline Value(unsigned int v) : u(v) {}
169  inline Value(bool v) : b(v) {}
170  inline Value(std::string *v) : s(v) {}
171  inline Value(boost::any *v) : a(v) {}
172  inline Value(std::vector<double> *v) : vd(v) {}
173  inline Value(std::vector<float> *v) : vf(v) {}
174  inline Value(std::vector<int> *v) : vi(v) {}
175  inline Value(std::vector<unsigned int> *v) : vu(v) {}
176  inline Value(std::vector<std::string> *v) : vs(v) {}
177 };
178 
179 template <class T>
180 inline T *valuePtrCast(Value value) {
181  return boost::any_cast<T *>(*value.a);
182 }
183 template <>
184 inline boost::any *valuePtrCast<boost::any>(Value value) {
185  return value.a;
186 }
187 
188 template <>
189 inline std::string *valuePtrCast<std::string>(Value value) {
190  return value.s;
191 }
192 template <>
193 inline std::vector<double> *valuePtrCast<std::vector<double>>(Value value) {
194  return value.vd;
195 }
196 template <>
197 inline std::vector<float> *valuePtrCast<std::vector<float>>(Value value) {
198  return value.vf;
199 }
200 template <>
201 inline std::vector<int> *valuePtrCast<std::vector<int>>(Value value) {
202  return value.vi;
203 }
204 template <>
205 inline std::vector<unsigned int> *valuePtrCast<std::vector<unsigned int>>(
206  Value value) {
207  return value.vu;
208 }
209 template <>
210 inline std::vector<std::string> *valuePtrCast<std::vector<std::string>>(
211  Value value) {
212  return value.vs;
213 }
214 } // namespace detail
215 } // namespace RDTypeTag
216 
217 struct RDValue {
219  short type;
220  short reserved_tag = 0; // 16 bit alignment
221 
222  inline RDValue() : value(0.0), type(RDTypeTag::EmptyTag) {}
223  // Pod Style (Direct storage)
224  inline RDValue(double v) : value(v), type(RDTypeTag::DoubleTag) {}
225  inline RDValue(float v) : value(v), type(RDTypeTag::FloatTag) {}
226  inline RDValue(int v) : value(v), type(RDTypeTag::IntTag) {}
227  inline RDValue(unsigned v) : value(v), type(RDTypeTag::UnsignedIntTag) {}
228  inline RDValue(bool v) : value(v), type(RDTypeTag::BoolTag) {}
229 
230  inline RDValue(boost::any *v) : value(v), type(RDTypeTag::AnyTag) {}
231 
232  // Copies passed in pointers
233  inline RDValue(const boost::any &v)
234  : value(new boost::any(v)), type(RDTypeTag::AnyTag) {}
235  inline RDValue(const std::string &v)
236  : value(new std::string(v)), type(RDTypeTag::StringTag){};
237  template <class T>
238  inline RDValue(const T &v)
239  : value(new boost::any(v)), type(RDTypeTag::AnyTag) {}
240 
241  inline RDValue(const std::vector<double> &v)
242  : value(new std::vector<double>(v)), type(RDTypeTag::VecDoubleTag) {}
243  inline RDValue(const std::vector<float> &v)
244  : value(new std::vector<float>(v)), type(RDTypeTag::VecFloatTag) {}
245  inline RDValue(const std::vector<int> &v)
246  : value(new std::vector<int>(v)), type(RDTypeTag::VecIntTag) {}
247  inline RDValue(const std::vector<unsigned int> &v)
248  : value(new std::vector<unsigned int>(v)),
249  type(RDTypeTag::VecUnsignedIntTag) {}
250  inline RDValue(const std::vector<std::string> &v)
251  : value(new std::vector<std::string>(v)), type(RDTypeTag::VecStringTag) {}
252 
253  short getTag() const { return type; }
254 
255  // ptrCast - unsafe, use rdvalue_cast instead.
256  template <class T>
257  inline T *ptrCast() const {
258  return RDTypeTag::detail::valuePtrCast<T>(value);
259  }
260 
261  // RDValue doesn't have an explicit destructor, it must
262  // be wrapped in a container.
263  // The idea is that POD types don't need to be destroyed
264  // and this allows the container optimization possibilities.
265  void destroy() {
266  switch (type) {
268  delete value.s;
269  break;
270  case RDTypeTag::AnyTag:
271  delete value.a;
272  break;
274  delete value.vd;
275  break;
277  delete value.vf;
278  break;
280  delete value.vi;
281  break;
283  delete value.vu;
284  break;
286  delete value.vs;
287  break;
288  default:
289  break;
290  }
292  }
293 
294  static // Given a type and an RDAnyValue - delete the appropriate structure
295  inline void
297  rdvalue.destroy();
298  }
299 };
300 
301 /////////////////////////////////////////////////////////////////////////////////////
302 // Given two RDValue::Values - copy the appropriate structure
303 // RDValue doesn't have a copy constructor, the default
304 // copy act's like a move for better value semantics.
305 // Containers may need to copy though.
306 inline void copy_rdvalue(RDValue &dest, const RDValue &src) {
307  if (&dest == &src) // don't copy over yourself
308  return;
309  dest.destroy();
310  dest.type = src.type;
311  switch (src.type) {
313  dest.value.s = new std::string(*src.value.s);
314  break;
315  case RDTypeTag::AnyTag:
316  dest.value.a = new boost::any(*src.value.a);
317  break;
319  dest.value.vd = new std::vector<double>(*src.value.vd);
320  break;
322  dest.value.vf = new std::vector<float>(*src.value.vf);
323  break;
325  dest.value.vi = new std::vector<int>(*src.value.vi);
326  break;
328  dest.value.vu = new std::vector<unsigned int>(*src.value.vu);
329  break;
331  dest.value.vs = new std::vector<std::string>(*src.value.vs);
332  break;
333  default:
334  dest = src;
335  }
336 }
337 
338 #ifdef RDK_32BIT_BUILD
339 // avoid register pressure and spilling on 32 bit systems
340 typedef const RDValue &RDValue_cast_t;
341 #else
342 typedef RDValue RDValue_cast_t;
343 #endif
344 
345 /////////////////////////////////////////////////////////////////////////////////////
346 // rdvalue_is<T>
347 
348 template <class T>
349 inline bool rdvalue_is(RDValue_cast_t v) {
350  const short tag =
351  RDTypeTag::GetTag<typename boost::remove_reference<T>::type>();
352  if (v.getTag() == tag) return true;
353 
354  // If we are an Any tag, check the any type info
355  if (v.getTag() == RDTypeTag::AnyTag) {
356  return v.value.a->type() == typeid(T);
357  }
358 
359  return false;
360 }
361 
362 /////////////////////////////////////////////////////////////////////////////////////
363 // rdvalue_cast<T>
364 //
365 // POD types do not support reference semantics. Other types do.
366 // rdvalue_cast<const std::vector<double> &>(RDValue); // ok
367 // rdvalue_cast<const float &>(RDValue); // bad_any_cast
368 
369 // Get stuff stored in boost any
370 template <class T>
371 inline T rdvalue_cast(RDValue_cast_t v) {
372  // Disable reference and pointer casts to POD data.
373  BOOST_STATIC_ASSERT(!(
374  (boost::is_pointer<T>::value &&
375  (boost::is_integral<typename boost::remove_pointer<T>::type>::value ||
376  boost::is_floating_point<
377  typename boost::remove_pointer<T>::type>::value)) ||
378  (boost::is_reference<T>::value &&
379  (boost::is_integral<typename boost::remove_reference<T>::type>::value ||
380  boost::is_floating_point<
381  typename boost::remove_reference<T>::type>::value))));
382 
383  if (rdvalue_is<boost::any>(v)) {
384  return boost::any_cast<T>(*v.ptrCast<boost::any>());
385  }
386  throw boost::bad_any_cast();
387 }
388 
389 // POD casts
390 template <>
391 inline double rdvalue_cast<double>(RDValue_cast_t v) {
392  if (rdvalue_is<double>(v)) return v.value.d;
393  throw boost::bad_any_cast();
394 }
395 
396 template <>
397 inline float rdvalue_cast<float>(RDValue_cast_t v) {
398  if (rdvalue_is<float>(v)) return v.value.f;
399  throw boost::bad_any_cast();
400 }
401 
402 template <>
403 inline int rdvalue_cast<int>(RDValue_cast_t v) {
404  if (rdvalue_is<int>(v)) return v.value.i;
405  throw boost::bad_any_cast();
406 }
407 template <>
408 inline unsigned int rdvalue_cast<unsigned int>(RDValue_cast_t v) {
409  if (rdvalue_is<unsigned int>(v)) return v.value.u;
410  throw boost::bad_any_cast();
411 }
412 
413 template <>
414 inline bool rdvalue_cast<bool>(RDValue_cast_t v) {
415  if (rdvalue_is<bool>(v)) return v.value.b;
416  throw boost::bad_any_cast();
417 }
418 
419 } // namespace RDKit
420 #endif
RDKit::RDValue::ptrCast
T * ptrCast() const
Definition: RDValue-taggedunion.h:257
RDKit::RDValue::RDValue
RDValue(const std::string &v)
Definition: RDValue-taggedunion.h:235
RDKit::RDTypeTag::detail::Value::Value
Value(boost::any *v)
Definition: RDValue-taggedunion.h:171
RDKit::RDTypeTag::detail::Value::vs
std::vector< std::string > * vs
Definition: RDValue-taggedunion.h:162
RDKit::RDTypeTag::detail::Value::vd
std::vector< double > * vd
Definition: RDValue-taggedunion.h:158
RDKit::RDValue::getTag
short getTag() const
Definition: RDValue-taggedunion.h:253
RDKit::RDValue::RDValue
RDValue(unsigned v)
Definition: RDValue-taggedunion.h:227
RDKit::rdvalue_cast< bool >
bool rdvalue_cast< bool >(RDValue_cast_t v)
Definition: RDValue-doublemagic.h:471
RDKit::rdvalue_is< double >
bool rdvalue_is< double >(const RDValue_cast_t)
Definition: RDValue-doublemagic.h:386
RDKit::RDValue::RDValue
RDValue(float v)
Definition: RDValue-taggedunion.h:225
RDKit::RDValue_cast_t
RDValue RDValue_cast_t
Definition: RDValue-doublemagic.h:417
RDKit::RDValue::RDValue
RDValue(const std::vector< unsigned int > &v)
Definition: RDValue-taggedunion.h:247
RDKit::RDTypeTag::FloatTag
static const boost::uint64_t FloatTag
Definition: RDValue-doublemagic.h:97
BoostStartInclude.h
RDKit::RDTypeTag::UnsignedIntTag
static const boost::uint64_t UnsignedIntTag
Definition: RDValue-doublemagic.h:99
RDKit::RDValue::reserved_tag
short reserved_tag
Definition: RDValue-taggedunion.h:220
RDKit::RDValue
Definition: RDValue-doublemagic.h:167
RDKit::RDTypeTag::detail::Value
Definition: RDValue-taggedunion.h:150
RDKit::RDTypeTag::detail::Value::Value
Value(std::vector< std::string > *v)
Definition: RDValue-taggedunion.h:176
RDKit::RDTypeTag::detail::Value::Value
Value(std::vector< float > *v)
Definition: RDValue-taggedunion.h:173
RDKit::RDTypeTag::DoubleTag
static const boost::uint64_t DoubleTag
Definition: RDValue-doublemagic.h:96
RDKit::RDTypeTag::detail::Value::Value
Value(std::vector< int > *v)
Definition: RDValue-taggedunion.h:174
RDKit::RDTypeTag::detail::Value::Value
Value()
Definition: RDValue-taggedunion.h:164
RDKit::RDTypeTag::VecDoubleTag
static const boost::uint64_t VecDoubleTag
Definition: RDValue-doublemagic.h:105
RDKit::RDTypeTag::VecUnsignedIntTag
static const boost::uint64_t VecUnsignedIntTag
Definition: RDValue-doublemagic.h:108
RDKit::RDTypeTag::detail::Value::Value
Value(std::vector< unsigned int > *v)
Definition: RDValue-taggedunion.h:175
RDKit::RDValue::RDValue
RDValue(const std::vector< float > &v)
Definition: RDValue-taggedunion.h:243
boost
Definition: RDLog.h:21
RDKit::RDValue::RDValue
RDValue(int v)
Definition: RDValue-taggedunion.h:226
RDKit::RDValue::RDValue
RDValue(const T &v)
Definition: RDValue-taggedunion.h:238
RDKit::rdvalue_cast< int >
int rdvalue_cast< int >(RDValue_cast_t v)
Definition: RDValue-doublemagic.h:458
RDKit::RDTypeTag::detail::Value::s
std::string * s
Definition: RDValue-taggedunion.h:156
BoostEndInclude.h
RDKit::rdvalue_cast
T rdvalue_cast(RDValue_cast_t v)
Definition: RDValue-doublemagic.h:420
RDKit::RDValue::RDValue
RDValue()
Definition: RDValue-taggedunion.h:222
RDKit::RDValue::destroy
void destroy()
Definition: RDValue-taggedunion.h:265
RDKit::RDValue::RDValue
RDValue(const std::vector< std::string > &v)
Definition: RDValue-taggedunion.h:250
RDKit::rdvalue_cast< unsigned int >
unsigned int rdvalue_cast< unsigned int >(RDValue_cast_t v)
Definition: RDValue-doublemagic.h:464
RDKit::RDTypeTag::GetTag< unsigned int >
boost::uint64_t GetTag< unsigned int >()
Definition: RDValue-doublemagic.h:130
RDKit::RDTypeTag::VecFloatTag
static const boost::uint64_t VecFloatTag
Definition: RDValue-doublemagic.h:106
RDKit::RDTypeTag::EmptyTag
const short EmptyTag
Definition: RDValue-taggedunion.h:83
RDKit::RDValue::type
short type
Definition: RDValue-taggedunion.h:219
RDKit::RDTypeTag::AnyTag
static const boost::uint64_t AnyTag
Definition: RDValue-doublemagic.h:110
RDKit::RDTypeTag::IntTag
static const boost::uint64_t IntTag
Definition: RDValue-doublemagic.h:98
LocaleSwitcher.h
RDKit::RDValue::RDValue
RDValue(bool v)
Definition: RDValue-taggedunion.h:228
RDKit::RDTypeTag::detail::Value::b
bool b
Definition: RDValue-taggedunion.h:155
RDKit::RDTypeTag::detail::Value::d
double d
Definition: RDValue-taggedunion.h:151
RDKit::RDTypeTag::GetTag
boost::uint64_t GetTag()
Definition: RDValue-doublemagic.h:114
RDKit::RDValue::cleanup_rdvalue
static void cleanup_rdvalue(RDValue &rdvalue)
Definition: RDValue-taggedunion.h:296
Invariant.h
RDKit::RDTypeTag::detail::Value::Value
Value(int v)
Definition: RDValue-taggedunion.h:167
RDKit::RDTypeTag::detail::Value::vf
std::vector< float > * vf
Definition: RDValue-taggedunion.h:159
RDKit::RDTypeTag::detail::Value::Value
Value(bool v)
Definition: RDValue-taggedunion.h:169
RDKit::RDTypeTag::VecIntTag
static const boost::uint64_t VecIntTag
Definition: RDValue-doublemagic.h:107
RDKit::RDTypeTag::detail::Value::vu
std::vector< unsigned int > * vu
Definition: RDValue-taggedunion.h:161
RDKit::RDTypeTag::StringTag
static const boost::uint64_t StringTag
Definition: RDValue-doublemagic.h:104
RDKit::RDTypeTag::detail::Value::a
boost::any * a
Definition: RDValue-taggedunion.h:157
RDKit::RDTypeTag::detail::Value::u
unsigned u
Definition: RDValue-taggedunion.h:154
RDKit::RDTypeTag::detail::Value::f
float f
Definition: RDValue-taggedunion.h:152
RDKit::RDTypeTag::GetTag< float >
boost::uint64_t GetTag< float >()
Definition: RDValue-doublemagic.h:122
RDKit
Std stuff.
Definition: Atom.h:30
RDKit::RDTypeTag::detail::Value::Value
Value(float v)
Definition: RDValue-taggedunion.h:166
RDKit::RDTypeTag::BoolTag
static const boost::uint64_t BoolTag
Definition: RDValue-doublemagic.h:100
RDKit::RDValue::RDValue
RDValue(double v)
Definition: RDValue-taggedunion.h:224
RDKit::RDTypeTag::detail::Value::Value
Value(double v)
Definition: RDValue-taggedunion.h:165
RDKit::rdvalue_cast< double >
double rdvalue_cast< double >(RDValue_cast_t v)
Definition: RDValue-doublemagic.h:440
RDKit::RDTypeTag::GetTag< int >
boost::uint64_t GetTag< int >()
Definition: RDValue-doublemagic.h:126
RDKit::RDValue::RDValue
RDValue(const boost::any &v)
Definition: RDValue-taggedunion.h:233
RDKit::rdvalue_is
bool rdvalue_is(const RDValue_cast_t)
Definition: RDValue-doublemagic.h:372
RDKit::RDTypeTag::detail::valuePtrCast
T * valuePtrCast(Value value)
Definition: RDValue-taggedunion.h:180
RDKit::RDTypeTag::detail::Value::i
int i
Definition: RDValue-taggedunion.h:153
RDKit::RDTypeTag::VecStringTag
static const boost::uint64_t VecStringTag
Definition: RDValue-doublemagic.h:109
RDKit::RDTypeTag::detail::Value::Value
Value(std::string *v)
Definition: RDValue-taggedunion.h:170
RDKit::RDTypeTag::GetTag< double >
boost::uint64_t GetTag< double >()
Definition: RDValue-doublemagic.h:118
RDKit::RDTypeTag::GetTag< bool >
boost::uint64_t GetTag< bool >()
Definition: RDValue-doublemagic.h:134
RDKit::rdvalue_cast< float >
float rdvalue_cast< float >(RDValue_cast_t v)
Definition: RDValue-doublemagic.h:446
RDKit::RDTypeTag::detail::Value::Value
Value(unsigned int v)
Definition: RDValue-taggedunion.h:168
RDKit::RDValue::RDValue
RDValue(const std::vector< double > &v)
Definition: RDValue-taggedunion.h:241
RDKit::RDTypeTag::detail::Value::Value
Value(std::vector< double > *v)
Definition: RDValue-taggedunion.h:172
RDKit::RDValue::RDValue
RDValue(const std::vector< int > &v)
Definition: RDValue-taggedunion.h:245
RDKit::copy_rdvalue
void copy_rdvalue(RDValue &dest, const RDValue &src)
Definition: RDValue-doublemagic.h:339
RDKit::RDTypeTag::detail::Value::vi
std::vector< int > * vi
Definition: RDValue-taggedunion.h:160
RDKit::RDValue::RDValue
RDValue(boost::any *v)
Definition: RDValue-taggedunion.h:230
RDKit::RDValue::value
RDTypeTag::detail::Value value
Definition: RDValue-taggedunion.h:218
export.h