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RDKit
Open-source cheminformatics and machine learning.
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a class for efficiently storing vectors of discrete values More...
#include <DiscreteValueVect.h>
Public Types | |
enum | DiscreteValueType { ONEBITVALUE =0, TWOBITVALUE, FOURBITVALUE, EIGHTBITVALUE, SIXTEENBITVALUE } |
used to define the possible range of the values More... | |
typedef boost::shared_array< boost::uint32_t > | DATA_SPTR |
Public Member Functions | |
DiscreteValueVect (DiscreteValueType valType, unsigned int length) | |
initialize with a particular type and size More... | |
DiscreteValueVect (const DiscreteValueVect &other) | |
Copy constructor. More... | |
DiscreteValueVect (const std::string pkl) | |
constructor from a pickle More... | |
DiscreteValueVect (const char *pkl, const unsigned int len) | |
constructor from a pickle More... | |
~DiscreteValueVect () | |
unsigned int | getVal (unsigned int i) const |
return the value at an index More... | |
int | operator[] (unsigned int idx) const |
support indexing using [] More... | |
void | setVal (unsigned int i, unsigned int val) |
set the value at an index More... | |
unsigned int | getTotalVal () const |
returns the sum of all the elements in the vect More... | |
unsigned int | getLength () const |
returns the length More... | |
unsigned int | size () const |
returns the length More... | |
const boost::uint32_t * | getData () const |
return a pointer to our raw data storage More... | |
unsigned int | getNumBitsPerVal () const |
return the number of bits used to store each value More... | |
DiscreteValueType | getValueType () const |
return the type of value being stored More... | |
unsigned int | getNumInts () const |
returns the size of our storage More... | |
DiscreteValueVect | operator& (const DiscreteValueVect &other) const |
support dvv3 = dvv1&dvv2 More... | |
DiscreteValueVect | operator| (const DiscreteValueVect &other) const |
support dvv3 = dvv1|dvv2 More... | |
DiscreteValueVect & | operator+= (const DiscreteValueVect &other) |
DiscreteValueVect & | operator-= (const DiscreteValueVect &other) |
std::string | toString () const |
returns a binary string representation (pickle) More... | |
a class for efficiently storing vectors of discrete values
Definition at line 23 of file DiscreteValueVect.h.
typedef boost::shared_array<boost::uint32_t> RDKit::DiscreteValueVect::DATA_SPTR |
Definition at line 25 of file DiscreteValueVect.h.
used to define the possible range of the values
Enumerator | |
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ONEBITVALUE | |
TWOBITVALUE | |
FOURBITVALUE | |
EIGHTBITVALUE | |
SIXTEENBITVALUE |
Definition at line 28 of file DiscreteValueVect.h.
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inline |
initialize with a particular type and size
Definition at line 37 of file DiscreteValueVect.h.
RDKit::DiscreteValueVect::DiscreteValueVect | ( | const DiscreteValueVect & | other | ) |
Copy constructor.
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inline |
constructor from a pickle
Definition at line 51 of file DiscreteValueVect.h.
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inline |
constructor from a pickle
Definition at line 55 of file DiscreteValueVect.h.
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inline |
Definition at line 59 of file DiscreteValueVect.h.
References getVal().
const boost::uint32_t* RDKit::DiscreteValueVect::getData | ( | ) | const |
return a pointer to our raw data storage
Referenced by size().
unsigned int RDKit::DiscreteValueVect::getLength | ( | ) | const |
returns the length
Referenced by operator[](), and size().
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inline |
return the number of bits used to store each value
Definition at line 86 of file DiscreteValueVect.h.
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inline |
returns the size of our storage
Definition at line 96 of file DiscreteValueVect.h.
References RDKit::computeL1Norm(), operator&(), RDKit::operator+(), operator+=(), RDKit::operator-(), operator-=(), operator|(), and toString().
unsigned int RDKit::DiscreteValueVect::getTotalVal | ( | ) | const |
returns the sum of all the elements in the vect
Referenced by operator[]().
unsigned int RDKit::DiscreteValueVect::getVal | ( | unsigned int | i | ) | const |
return the value at an index
Referenced by operator[](), and ~DiscreteValueVect().
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inline |
return the type of value being stored
Definition at line 91 of file DiscreteValueVect.h.
Referenced by RDGeom::UniformGrid3D::operator&().
DiscreteValueVect RDKit::DiscreteValueVect::operator& | ( | const DiscreteValueVect & | other | ) | const |
support dvv3 = dvv1&dvv2
operator& returns the minimum value for each element. e.g.: [0,1,2,0] & [0,1,1,1] -> [0,1,1,0]
Referenced by getNumInts().
DiscreteValueVect& RDKit::DiscreteValueVect::operator+= | ( | const DiscreteValueVect & | other | ) |
Referenced by getNumInts().
DiscreteValueVect& RDKit::DiscreteValueVect::operator-= | ( | const DiscreteValueVect & | other | ) |
Referenced by getNumInts().
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inline |
support indexing using []
Definition at line 65 of file DiscreteValueVect.h.
References getLength(), getTotalVal(), getVal(), and setVal().
DiscreteValueVect RDKit::DiscreteValueVect::operator| | ( | const DiscreteValueVect & | other | ) | const |
support dvv3 = dvv1|dvv2
operator& returns the maximum value for each element. e.g.: [0,1,2,0] | [0,1,1,1] -> [0,1,2,1]
Referenced by getNumInts().
void RDKit::DiscreteValueVect::setVal | ( | unsigned int | i, |
unsigned int | val | ||
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set the value at an index
NOTE: it is an error to have val > the max value this DiscreteValueVect can accomodate
Referenced by operator[]().
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inline |
returns the length
Definition at line 80 of file DiscreteValueVect.h.
References getData(), and getLength().
std::string RDKit::DiscreteValueVect::toString | ( | ) | const |
returns a binary string representation (pickle)
Referenced by getNumInts().