BALL 1.5.0
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#include <BALL/QSAR/simpleDescriptors.h>
Public Member Functions | |
Constructors and Destructors | |
NumberOfOxygen () | |
NumberOfOxygen (const NumberOfOxygen &no) | |
virtual | ~NumberOfOxygen () |
Assignment | |
NumberOfOxygen & | operator= (const NumberOfOxygen &no) |
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SimpleBase () | |
SimpleBase (const SimpleBase &sb) | |
SimpleBase (const String &name) | |
SimpleBase (const String &name, const String &unit) | |
virtual | ~SimpleBase () |
virtual SimpleBase & | operator= (const SimpleBase &sb) |
void | computeAllDescriptors (AtomContainer &ac) |
void | setDataFolder (const char *folder) |
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Descriptor () | |
Descriptor (const Descriptor &descriptor) | |
Descriptor (const String &name) | |
Descriptor (const String &name, const String &unit) | |
virtual | ~Descriptor () |
Descriptor & | operator= (const Descriptor &descriptor) |
Processor::Result | operator() (AtomContainer &ac) |
const String & | getName () const |
void | setName (const String &name) |
void | setUnit (const String &name) |
const String & | getUnit () const |
virtual double | compute (AtomContainer &ac) |
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UnaryProcessor () | |
UnaryProcessor (const UnaryProcessor &) | |
virtual | ~UnaryProcessor () |
virtual bool | start () |
virtual bool | finish () |
Additional Inherited Members | |
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typedef ResultType | result_type |
typedef ArgumentType | argument_type |
typedef ArgumentType & | argument_reference |
typedef const ArgumentType & | const_argument_reference |
typedef ArgumentType * | argument_pointer |
typedef const ArgumentType * | const_argument_pointer |
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bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
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This descriptor counts the number of oxygen
Definition at line 362 of file simpleDescriptors.h.
BALL::NumberOfOxygen::NumberOfOxygen | ( | ) |
Default construcotr
BALL::NumberOfOxygen::NumberOfOxygen | ( | const NumberOfOxygen & | no | ) |
Copy constructor
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virtual |
Destructor
NumberOfOxygen & BALL::NumberOfOxygen::operator= | ( | const NumberOfOxygen & | no | ) |
Assignment operator