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| HHS_Solvation (HHSType::eType t, Atom *a, double p=1.0, double r=1.0, double s=0.0) |
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double | GetA_i (void) const |
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double | GetS_i (void) const |
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double | GetP_i (void) const |
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double | GetR_i (void) const |
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double | GetSigma (void) const |
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HHSType::eType | GetHHSType () const |
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Atom * | GetAtom () const |
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double | GetArea () const |
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double | GetEnergy () const |
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void | Init () |
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void | Save () |
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void | Restore () |
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void | Overlap (HHS_Solvation *h, double p_ij) |
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const std::vector< HHS_Solvation * > & | GetVariable () const |
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int | GetNumVariable () const |
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void | AddVariable (HHS_Solvation *anAtom) |
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void | OverlapVariable () |
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void | OverlapVariableEnabledOnly () |
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void | Partition (double d=0.0) |
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static const double | r_s = 0.6 |
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| static const double | d_s |
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| static const double | Pij_12 |
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static const double | Pij_13 = 0.3516 |
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static const double | Pij_14 = 0.3156 |
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◆ d_s
| const double HHS_Solvation::d_s |
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Initial value:=
2.0 * HHS_Solvation::r_s
◆ Pij_12
| const double HHS_Solvation::Pij_12 |
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The documentation for this class was generated from the following files:
1.9.7