BALL::PartialChargeBase Class Reference
Generic QSAR molecular partial charge descriptor class \. More...#include <partialChargeBase.h>
Inheritance diagram for BALL::PartialChargeBase:
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Public Member Functions |
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Constructors and Destructors
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| PartialChargeBase () | |
| Default constructor. |
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| PartialChargeBase (const PartialChargeBase &pcb) | |
| Copy constructor. |
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| PartialChargeBase (const String &name) | |
| Named constructor. |
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| PartialChargeBase (const String &name, const String &unit) | |
| Named unity constructor. |
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| virtual | ~PartialChargeBase () |
| Destructor. |
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Assignment
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| PartialChargeBase & | operator= (const PartialChargeBase &pcb) |
| Assignment Operator. |
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Protected Member Functions |
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Predicates
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| bool | isValid_ (AtomContainer &ac) |
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Accessors
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| void | calculate_ (AtomContainer &ac) |
