BALL 1.5.0
|
#include <BALL/QSAR/partialChargeDescriptors.h>
Additional Inherited Members | |
![]() | |
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 |
![]() | |
bool | isValid_ (AtomContainer &ac) |
void | calculate_ (AtomContainer &ac) |
![]() | |
![]() | |
String | data_folder_ |
This descriptor returns the fraction of positive partial charges, which is calculated by deviding the biggest partial charges value by the sum of positive partial charges.
Definition at line 93 of file partialChargeDescriptors.h.
BALL::RelPositivePartialCharge::RelPositivePartialCharge | ( | ) |
Default constructor
BALL::RelPositivePartialCharge::RelPositivePartialCharge | ( | const RelPositivePartialCharge & | rppc | ) |
Copy constructor
|
virtual |
Destructor
RelPositivePartialCharge & BALL::RelPositivePartialCharge::operator= | ( | const RelPositivePartialCharge & | rppc | ) |
Assignment operator