Inheritance diagram for loos::WeightsFromFile:
Collaboration diagram for loos::WeightsFromFile:
Public Member Functions | |
| void | addTraj (pTraj &traj) |
| Add trajectory to class and verify size match with existing WeightsFromFile. | |
| WeightsFromFile (const std::string &filename, pTraj &traj) | |
| WeightsFromFile (const std::string &filename) | |
| uint | readWeightsList (const std::string &filename) |
| Read in a list of files matching weights files to trajectory files. | |
 Public Member Functions inherited from loos::Weights | |
| virtual const double | get () |
| Return the weight for the current frame of the trajectory. | |
| virtual const double | get (const uint index) |
| Return the weight for frame index of the trajectory. | |
| virtual void | set (double newWeight) |
| Bind a new weight to the current frame. | |
| virtual void | set (double newWeight, const uint index) |
| Bind a new weight to a particular frame. | |
| virtual uint | size () |
| Return the number of weights. | |
| virtual void | normalize () |
| Weights class to handle reweighting values computed from a trajectory. | |
| virtual void | accumulate () |
| Keep track of total weight used. | |
| virtual void | accumulate (const uint index) |
| virtual const double | totalWeight () |
| Return the totalWeight, as tracked using accumulate. | |
| virtual const double | trajWeight () |
| Return the weight of the current trajectory. | |
| virtual const double | operator() () |
| calling nomenclature wraps get | |
| virtual const double | operator() (const uint index) |
| virtual void | operator() (double newWeight) |
| binding nomenclature wraps set | |
| virtual void | operator() (double newWeight, const uint index) |
| virtual void | operator() (std::vector< double > &newWeights) |
| set all weights from passed vector | |
| virtual std::vector< double > | weights () |
| Return the vector of weights. | |
| Weights (const std::vector< double > &weightsvec, pTraj &traj) | |
| Weights (const std::vector< double > &weightsvec) | |
| Weights (pTraj &traj) | |
Additional Inherited Members | |
| Public Attributes inherited from loos::Weights | |
| uint | current_frame |
| Protected Attributes inherited from loos::Weights | |
| std::vector< double > | _weights |
| pTraj | _traj |
| uint | _num_weights |
| double | _total |
| double | _totalTraj |
Member Function Documentation
◆ addTraj()
|
virtual |
Add trajectory to class and verify size match with existing WeightsFromFile.
Reimplemented from loos::Weights.
The documentation for this class was generated from the following files:
- src/WeightsFromFile.hpp
- src/WeightsFromFile.cpp
