IonicInteractionConstraint.
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#include <IonicInteractionConstraint.hpp>
◆ IonicInteractionConstraint()
Constructs a IonicInteractionConstraint
functor with a minimum ionic-feature pair distance of min_dist and a maximum distance of max_dist.
- Parameters
-
min_dist | The minimum allowed feature pair distance. |
max_dist | The maximum allowed feature pair distance. |
◆ DEF_MIN_DISTANCE
constexpr double CDPL::Pharm::IonicInteractionConstraint::DEF_MIN_DISTANCE = 1.5 |
|
staticconstexpr |
◆ DEF_MAX_DISTANCE
constexpr double CDPL::Pharm::IonicInteractionConstraint::DEF_MAX_DISTANCE = 5.5 |
|
staticconstexpr |
The documentation for this class was generated from the following file: