Method.cpp

 
#include "Method.h"
#include "ABF.h"
#include "ANN.h"
#include "CFF.h"
#include "Umbrella.h"
#include "BasisFunc.h"
#include "ForwardFlux.h"
#include "Meta.h"
#include "StringMethod.h"
#include "schema.h"
#include "json/json.h"
#include "Drivers/DriverException.h"
#include "Validator/ObjectRequirement.h"
#include "CVs/CVManager.h"
#include <stdexcept>
 
using namespace Json;
 
namespace SSAGES
{
    Method* Method::BuildMethod(const Value& json,
                                const MPI_Comm& world,
                                const MPI_Comm& comm,
                                const std::string& path)
    {
        ObjectRequirement validator;
        Value schema;
        CharReaderBuilder rbuilder;
        CharReader* reader = rbuilder.newCharReader();
 
        reader->parse(JsonSchema::Method.c_str(),
                      JsonSchema::Method.c_str() + JsonSchema::Method.size(),
                      &schema, nullptr);
        validator.Parse(schema, path);
        validator.Validate(json, path);
        if(validator.HasErrors())
            throw BuildException(validator.GetErrors());
 
        Method* method = nullptr;
 
        if(json["type"] == "ABF")
            method = ABF::Build(json, world, comm, path);
        else if(json["type"] == "ANN")
            method = ANN::Build(json, world, comm, path);
        else if(json["type"] == "BFSMethod")
            method = BFS::Build(json, world, comm, path);
        else if(json["type"] == "CFF")
            method = CFF::Build(json, world, comm, path);
        else if(json["type"] == "ForwardFlux")
            method = ForwardFlux::Build(json, world, comm, path);
        else if(json["type"] == "Metadynamics")
            method = Meta::Build(json, world, comm, path);
        else if(json["type"] == "Umbrella")
            method = Umbrella::Build(json, world, comm, path);
        else if(json["type"] == "String")
            method = StringMethod::Build(json, world, comm, path);
        else
            throw std::invalid_argument(path + ": Unknown method type specified.");
 
        // Load cv mask.
        std::vector<unsigned int> cvmask;
        for(auto& cv : json["cvs"])
        {
            cvmask.push_back(CVManager::LookupCV(cv, path));
        }
 
        method->SetCVMask(cvmask);
        return method;
    }
}