Constant Field Values

Contents

• edu.rit.*
• ffx.algorithms.*
• ffx.numerics.*
• ffx.potential.*
• ffx.ui.*
• ffx.utilities.*
• ffx.xray.*

edu.rit.*

edu.rit.http.HttpRequest

Modifier and Type	Constant Field	Value
public static final String	GET_METHOD	"GET"
public static final String	HEAD_METHOD	"HEAD"
public static final String	HTTP_1_0_VERSION	"HTTP/1.0"
public static final String	HTTP_1_1_VERSION	"HTTP/1.1"
public static final String	POST_METHOD	"POST"

edu.rit.pj.Version

Modifier and Type	Constant Field	Value
public static final String	PJ_VERSION	"Parallel Java v20120620"

edu.rit.pj.cluster.Constants

Modifier and Type	Constant Field	Value
public static final String	ALL_NETWORK_INTERFACES	"0.0.0.0"
public static final int	PJ_PORT	20617
public static final int	WEB_PORT	8080

edu.rit.pj.cluster.Message

Modifier and Type	Constant Field	Value
public static final int	FILE_READ_DATA	6
public static final int	FILE_WRITE_DATA	5
public static final int	FROM_JOB_BACKEND	1
public static final int	FROM_JOB_FRONTEND	2
public static final int	FROM_JOB_LAUNCHER	3
public static final int	FROM_JOB_SCHEDULER	4

ffx.algorithms.*

ffx.algorithms.cli.BarostatOptions

Modifier and Type	Constant Field	Value
public static final String	DEFAULT_BAROSTAT_INTERVAL	"10"
public static final String	DEFAULT_BAROSTAT_PRINT_INTERVAL	"1000"
public static final String	DEFAULT_MAX_ANGLE_MOVE	"0.5"
public static final String	DEFAULT_MAX_DENSITY	"1.6"
public static final String	DEFAULT_MAX_VOLUME_MOVE	"1.0"
public static final String	DEFAULT_MIN_DENSITY	"0.75"

ffx.algorithms.dynamics.integrators.Integrator

Modifier and Type	Constant Field	Value
protected final double	constraintTolerance	1.0E-4

ffx.algorithms.optimize.Minimize

Modifier and Type	Constant Field	Value
public static final int	DEFAULT_LBFGS_VECTORS	7

ffx.algorithms.thermodynamics.OrthogonalSpaceTempering

Modifier and Type	Constant Field	Value
protected final boolean	print	false

ffx.numerics.*

ffx.numerics.optimization.LBFGS

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_ANGLEMAX	180.0
public static final double	DEFAULT_CAPPA	0.9
public static final int	DEFAULT_INTMAX	5
public static final double	DEFAULT_SLOPEMAX	10000.0
public static final double	DEFAULT_STEPMAX	5.0
public static final double	DEFAULT_STEPMIN	1.0E-16

ffx.potential.*

ffx.potential.ForceFieldEnergy

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_CONSTRAINT_TOLERANCE	1.0E-4

ffx.potential.bonded.Polymer

Modifier and Type	Constant Field	Value
public static final String	CHAIN_IDS	"ABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789abcdefghijklmnopqrstuvwxyz"

ffx.potential.bonded.RestrainDistance

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_RB_LAM_END	1.0
public static final double	DEFAULT_RB_LAM_START	0.75

ffx.potential.bonded.ROLS

Modifier and Type	Constant Field	Value
public static final int	MaxLengthScale	5

ffx.potential.constraint.CcmaConstraint

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_CCMA_NONZERO_CUTOFF	0.01

ffx.potential.nonbonded.GeneralizedKirkwood

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_CAVDISP_SURFACE_TENSION	0.08
public static final double	DEFAULT_CROSSOVER	7.18562874251497
public static final double	DEFAULT_DIELECTRIC_OFFSET	0.09
public static final double	DEFAULT_GKC	2.455
public static final double	DEFAULT_SOLVENT_PRESSURE	0.0334
public static final double	DEFAULT_TANH_BETA0	0.9563
public static final double	DEFAULT_TANH_BETA1	0.2578
public static final double	DEFAULT_TANH_BETA2	0.081

ffx.potential.nonbonded.VanDerWaalsForm

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_VDW_CUTOFF	12.0
public static final double	DEFAULT_VDW_TAPER	0.9

ffx.potential.nonbonded.implicit.BornTanhRescaling

Modifier and Type	Constant Field	Value
public static final double	MAX_BORN_RADIUS	30.0

ffx.potential.nonbonded.implicit.ConnollyRegion

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_WIGGLE	1.0E-8

ffx.potential.nonbonded.implicit.DispersionRegion

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_DISPERSION_OFFSET	1.056
public static final double	DEFAULT_SOLUTE_OFFSET	0.0

ffx.potential.nonbonded.implicit.GaussVol

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_GAUSSVOL_RADII_OFFSET	0.0
public static final double	DEFAULT_GAUSSVOL_RADII_SCALE	1.15

ffx.potential.nonbonded.implicit.GKEnergyRegion

Modifier and Type	Constant Field	Value
protected final double	dOffset	0.09
protected static final double	oneThird	0.3333333333333333

ffx.potential.nonbonded.pme.EwaldParameters

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_EWALD_COEFFICIENT	0.545
public static final double	DEFAULT_EWALD_CUTOFF	7.0

ffx.potential.nonbonded.pme.OPTRegion

Modifier and Type	Constant Field	Value
public final int	optOrder	2

ffx.potential.nonbonded.pme.PCGSolver

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_CG_PRECONDITIONER_CUTOFF	4.5
public static final double	DEFAULT_CG_PRECONDITIONER_EWALD	0.0
public static final double	DEFAULT_CG_PRECONDITIONER_SCALE	2.0

ffx.potential.parameters.AngleTorsionType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_ANGTOR_UNIT	0.017453292519943295

ffx.potential.parameters.AngleType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_ANGLE_CUBIC	0.0
public static final double	DEFAULT_ANGLE_PENTIC	0.0
public static final double	DEFAULT_ANGLE_QUARTIC	0.0
public static final double	DEFAULT_ANGLE_SEXTIC	0.0

ffx.potential.parameters.BondType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_BOND_CUBIC	0.0
public static final double	DEFAULT_BOND_QUARTIC	0.0
public static final double	DEFAULT_BOND_UNIT	1.0

ffx.potential.parameters.ChargeType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_CHG_12_SCALE	0.0
public static final double	DEFAULT_CHG_13_SCALE	0.0
public static final double	DEFAULT_CHG_14_SCALE	2.0
public static final double	DEFAULT_CHG_15_SCALE	1.0

ffx.potential.parameters.ImproperTorsionType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_IMPTOR_UNIT	1.0

ffx.potential.parameters.MultipoleType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_MPOLE_12_SCALE	0.0
public static final double	DEFAULT_MPOLE_13_SCALE	0.0
public static final double	DEFAULT_MPOLE_14_SCALE	1.0
public static final double	DEFAULT_MPOLE_15_SCALE	1.0
public static final int	t000	0
public static final int	t001	3
public static final int	t002	6
public static final int	t003	12
public static final int	t010	2
public static final int	t011	9
public static final int	t012	18
public static final int	t020	5
public static final int	t021	16
public static final int	t030	11
public static final int	t100	1
public static final int	t101	8
public static final int	t102	17
public static final int	t110	7
public static final int	t111	19
public static final int	t120	15
public static final int	t200	4
public static final int	t201	14
public static final int	t210	13
public static final int	t300	10

ffx.potential.parameters.OutOfPlaneBendType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_OPBEND_CUBIC	0.0
public static final double	DEFAULT_OPBEND_PENTIC	0.0
public static final double	DEFAULT_OPBEND_QUARTIC	0.0
public static final double	DEFAULT_OPBEND_SEXTIC	0.0

ffx.potential.parameters.PiOrbitalTorsionType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_PITORS_UNIT	1.0

ffx.potential.parameters.PolarizeType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_DIRECT_11_SCALE	0.0
public static final double	DEFAULT_DIRECT_12_SCALE	1.0
public static final double	DEFAULT_DIRECT_13_SCALE	1.0
public static final double	DEFAULT_DIRECT_14_SCALE	1.0
public static final double	DEFAULT_POLAR_12_INTRA	0.0
public static final double	DEFAULT_POLAR_12_SCALE	0.0
public static final double	DEFAULT_POLAR_13_INTRA	0.0
public static final double	DEFAULT_POLAR_13_SCALE	0.0
public static final double	DEFAULT_POLAR_14_INTRA	0.5
public static final double	DEFAULT_POLAR_14_SCALE	1.0
public static final double	DEFAULT_POLAR_15_INTRA	1.0
public static final double	DEFAULT_POLAR_15_SCALE	1.0

ffx.potential.parameters.StretchBendType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_STRBND_UNIT	0.017453292519943295

ffx.potential.parameters.StretchTorsionType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_STRTOR_UNIT	1.0

ffx.potential.parameters.TorsionTorsionType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_TORTOR_UNIT	1.0

ffx.potential.parameters.TorsionType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_TORSION_UNIT	1.0

ffx.potential.parameters.UreyBradleyType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_UREY_CUBIC	0.0
public static final double	DEFAULT_UREY_QUARTIC	0.0
public static final double	DEFAULT_UREY_UNIT	1.0

ffx.potential.parameters.VDWType

Modifier and Type	Constant Field	Value
public static final double	DEFAULT_DELTA	0.07
public static final double	DEFAULT_GAMMA	0.12
public static final double	DEFAULT_VDW_12_SCALE	0.0
public static final double	DEFAULT_VDW_13_SCALE	0.0
public static final double	DEFAULT_VDW_14_SCALE	1.0

ffx.potential.parsers.CIFFilter

Modifier and Type	Constant Field	Value
public static final double	MAX_COVALENT_RADIUS	2.0
public static final double	MIN_BOND_DISTANCE	0.5

ffx.ui.*

ffx.ui.FFXSystem

Modifier and Type	Constant Field	Value
public static final int	MultiScaleLevel	4

ffx.ui.MainPanel

Modifier and Type	Constant Field	Value
public static final String	border	" _________________________________________________________________________\n"
public static final String	date	"January 2025"
public static final String	title	" FORCE FIELD X - Polyglot Software for Molecular Biophysics \n"
public static final String	version	"1.0.0"

ffx.ui.behaviors.MouseBehavior

Modifier and Type	Constant Field	Value
public static final int	INVERT_INPUT	2
public static final int	MANUAL_WAKEUP	1

ffx.ui.behaviors.MouseBehaviorCallback

Modifier and Type	Constant Field	Value
public static final int	ORBIT	6
public static final int	PROPERTIES	5
public static final int	ROTATE	0
public static final int	SELECTION	4
public static final int	TRANSLATE	1
public static final int	ZOOM	2

ffx.ui.behaviors.PickingCallback

Modifier and Type	Constant Field	Value
public static final int	NO_PICK	3
public static final int	ORBIT	6
public static final int	PROPERTIES	5
public static final int	ROTATE	0
public static final int	SELECTION	4
public static final int	TRANSLATE	1
public static final int	ZOOM	2

ffx.utilities.*

ffx.utilities.Constants

Modifier and Type	Constant Field	Value
public static final double	ANG_TO_NM	0.1
public static final double	ATM_TO_BAR	1.01325
public static final double	AVOGADRO	6.02214076E23
public static final double	BOHR	0.529177210903
public static final double	BOHR2	0.2800285205390781
public static final double	BOLTZMANN_SI	1.380649E-23
public static final double	DEFAULT_ELECTRIC	332.0637133
public static final double	DEGREES_PER_RADIAN	57.29577951308232
public static final long	DEL_V_Cs_SI	9192631770L
public static final double	dWater	78.3
public static final double	ELEC_ANG_TO_DEBYE	4.80321
public static final double	ELEC_ANG2_TO_BUCKINGHAMS	23.0708263041
public static final double	ELECTRIC_CODATA_2018	332.063713299
public static final double	ELEMENTARY_CHARGE_SI	1.602176634E-19
public static final double	FSEC_TO_PSEC	0.001
public static final double	HARTREE_TO_KCAL_PER_MOL	627.5094738898777
public static final int	K_CD_SI	683
public static final double	kB	0.831446261815324
public static final double	KCAL_TO_GRAM_ANG2_PER_PS2	418.4
public static final double	KCAL_TO_KJ	4.184
public static final double	KG_TO_GRAMS	1000.0
public static final double	KJ_TO_KCAL	0.2390057361376673
public static final double	LITERS_PER_CUBIC_ANGSTROM	1.0E-30
public static final double	METERS_TO_ANG	1.0E10
public static final double	NM_TO_ANG	10.0
public static final double	NS2SEC	1.0E-9
public static final double	PLANCK_CONSTANT_SI	6.62607015E-34
public static final double	PRESCON	68568.4112
public static final double	PSEC_TO_FSEC	1000.0
public static final double	R	0.0019872042586408316
public static final double	ROOM_TEMPERATURE	298.15
public static final double	SEC_TO_PSEC	1.0E12
public static final int	SPEED_OF_LIGHT_SI	299792458

ffx.utilities.PortUtils

Modifier and Type	Constant Field	Value
public static final int	MAX_TCP_PORT	65535

ffx.utilities.StringUtils

Modifier and Type	Constant Field	Value
public static final String	STANDARD_WATER_NAME	"HOH"

ffx.xray.*

ffx.xray.SplineEnergy.Type

Modifier and Type	Constant Field	Value
public static final int	F1F2	2
public static final int	FCTOESQ	3
public static final int	FOFC	1
public static final int	FOTOESQ	4

ffx.xray.parsers.MTZWriter.MTZType

Modifier and Type	Constant Field	Value
public static final int	ALL	3
public static final int	DATAONLY	1
public static final int	FCONLY	2