EnergyCalculator_Consts

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enum EXCLUSION_STATUS ;

    enum EXCLUSION_STATUS {
        NOT_EXCLUDED = 0, EXCLUDED, PAIR1_4
    };

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const unsigned short NUM_HEAVY_TYPES = 17;

    static const unsigned short NUM_HEAVY_TYPES = 17;

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const float SIGMA_FACTOR = 0.5;

The factor used to determine when we have a steric clash

    static const float SIGMA_FACTOR = 0.5;

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const float T_0 = 298.15;

    static const float T_0 = 298.15;

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const REAL Kb = 0.00198576;

The Boltzman constant

    static const REAL Kb = 0.00198576;

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const REAL SIGMA[NUM_ATYPES];

    static const REAL SIGMA[NUM_ATYPES];

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const REAL DIELECTRIC = 332.05382;

Vacuum Dielectric constant (AVOGADRO*e0*e0)/(4*pi*vacuum permativity*1000*1e-10*4.1868) DIELECTRIC*q1*q2/r^2 (Kcal/mol)

    static const REAL DIELECTRIC = 332.05382; 

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const REAL AVOGADRO = 6.0221367E+23L;

Avogadro constant.

    static const REAL AVOGADRO    = 6.0221367E+23L;      // 1 / mol

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const REAL JOULE_PER_CAL = 4.184;

Joule per calorie

    static const REAL JOULE_PER_CAL     = 4.184;

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const REAL epsilon[NUM_ATYPES];

van der Waals constants

    static const REAL epsilon[NUM_ATYPES];

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const REAL volume[NUM_ATYPES];

Atom volumes

    static const REAL volume[NUM_ATYPES];

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const REAL deltaG_ref[NUM_ATYPES];

Atom \Delta G^{ref}

    static const REAL deltaG_ref[NUM_ATYPES];

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const REAL deltaG_free[NUM_HEAVY_TYPES];

Atom \Delta G^{free}

    static const REAL deltaG_free[NUM_HEAVY_TYPES];

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const REAL deltaH_ref[NUM_HEAVY_TYPES];

Atom \Delta H^{ref}

    static const REAL deltaH_ref[NUM_HEAVY_TYPES];

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const REAL deltaCp_ref[NUM_HEAVY_TYPES];

Atom \Delta Cp^{ref}

    static const REAL deltaCp_ref[NUM_HEAVY_TYPES];

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const REAL M_PI = (REAL)3.14159265359;

    static const REAL M_PI = (REAL)3.14159265359;

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const REAL SOLVATION_K;

    static const  REAL SOLVATION_K;// = 2.0 / (4.0 * M_PI * sqrt(M_PI));

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const float ACEMatrix[18][18];

    static const float ACEMatrix[18][18];

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const float PDPMatrix[22][22];

    static const float PDPMatrix[22][22];

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unsigned short getPDPType(RESIDUE_INDEX resType)

    inline static unsigned short getPDPType(RESIDUE_INDEX resType)    
                                                                                                                                       

Function is currently defined inline.

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