SSAGES
0.9.3
Software Suite for Advanced General Ensemble Simulations
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▼NJson | |
CAllOfRequirement | Requires that all of a list of Requirements hold |
CAnyOfRequirement | Requires that at least one of a list of Requirements hold |
CArrayRequirement | Array of Requirements |
CBooleanRequirement | Requires json value to be of type Bool |
CDependencyRequirement | Requires dependencies to be met |
CEnumRequirement | Requires entry to be member of an enum |
CIntegerRequirement | Requirements on Integer values |
CNotRequirement | Requires a given Requirement to fail |
CNullRequirement | Requires value to be of type Null |
CNumberRequirement | Requirements on a numeric value |
CObjectRequirement | Requirements on an object |
COneOfRequirement | Requires exactly one of a list of Requirements to hold |
CRequirement | Requirements on input files |
CRequirementLoader | Helper class to load Requirement |
CStringRequirement | Requirements on strings |
▼NSSAGES | |
CAlphaRMSDCV | Collective variable to measure alpha helix secondary structure |
CAngleCV | Collective variable to calculate angle |
CANNCV | ANN (artifical neural network) collective variables |
CAntiBetaRMSDCV | Collective variable to measure antiparallel beta secondary structure |
CBoxVolumeCV | Collective variable on the volume of a box |
CCollectiveVariable | Abstract class for a collective variable |
CCVManager | Collective variable manager |
CGyrationTensorCV | Collective variable on components of the gyration tensor |
CMockCV | Mock collective variable for testing purposes |
CPairwiseCV | Generalized collective variable based on pairwise properties of atoms |
CParallelBetaRMSDCV | Collective variable to measure parallel beta sheet secondary structure |
CParticleCoordinateCV | Collective variable on a particle coordinate |
CParticlePositionCV | Collective variable on an particle position |
CParticleSeparationCV | Collective variable on the distance between two particles' centers of mass |
CRMSDCV | Collective variable to calculate root mean square displacement |
CRouseModeCV | Collective variable is a Rouse mode for a polymer chain comprised of N particle groups |
CTorsionalCV | Collective variable on the torsion angles |
CBuildException | Exception to be thrown when building the Driver fails |
CEventListener | Base abstract class for listening in to events fired by "Hook" |
▼CGrid | Basic Grid |
CGridIterator | Custom Iterator |
CGridBase | Base class for Grids |
CHook | Base class for hooks into the simultion engines |
CJSONLoader | Class for loading JSON content from files |
CJSONLoaderPlugin | Abstract class for JSON loader plugins |
CIncludePlugin | Class for JSON loader include plugin |
CLogger | Base class for logging SSAGES data |
CABF | Adaptive Biasing Force Algorithm |
CANN | Artificial Neural Network Method |
CBFS | Basis Function Sampling Algorithm |
CCFF | Combined Force Frequency (CFF) Algorithm |
CDirectForwardFlux | ForwardFlux sampling method |
CElasticBand | Multi-walker Elastic Band |
CFiniteTempString | Finite Temperature Spring Method |
▼CForwardFlux | ForwardFlux sampling method |
CFFSConfigID | Nested class to store different FFS Config IDs |
CHill | Multidimensional hill |
CMeta | "Vanilla" multi-dimensional Metadynamics |
CMethod | Interface for Method implementations |
CStringMethod | String base class for FTS, Swarm, and elastic band |
CSwarm | Swarm of Trajectories String Method |
CUmbrella | Umbrella sampling method |
CResourceHandler | Class that handles SSAGES resources for a simulation |
CSnapshot | Class containing a snapshot of the current simulation in time |
CBasisLUT | Look-up table for basis functions |
CMap | Map for histogram and coefficients |
CBasisFunction | Abstract class for all BasisFunction inheritance |
CChebyshev | Defines the class of Chebyshev polynomials |
CLegendre | Defines the class of Legendre polynomials |
CFourier | Defines the class of Fourier polynomials |
CBasisEvaluator | Calculates the inner product of all the basis functions and the histogram |
CPairwiseKernel | Pairwise kernel base class |
CGaussianPK | Gaussian Function |
CRationalSwitchPK | Rational Switching Function |
CReadBackbone | Utility class to read protein backbone atoms from a reference file |
CReadFile | Utility class to read file |