C++ (Cpp) gridNew示例

示例#1

文件： jacobi3d_serial_vanilla.cpp 项目： blueyi/stencilProbe

int main(int argc, char **argv)
{
    if (argc != 5) {
        std::cerr << "usage: " << argv[0] << " DIM_X DIM_Y DIM_Z REPEATS\n";
        return 1;
    }
    std::stringstream buf;
    for (int i = 1; i < argc; ++i) {
        buf << argv[i] << " ";
    }
    int dimX, dimY, dimZ, repeats;
    buf >> dimX;
    buf >> dimY;
    buf >> dimZ;
    buf >> repeats;

    int size = dimX * dimY * dimZ;
    std::vector<double> gridOld(size);
    std::vector<double> gridNew(size);
    init(&gridOld[0], dimX, dimY, dimZ);
    init(&gridNew[0], dimX, dimY, dimZ);

    benchmark(&gridOld, &gridNew, dimX, dimY, dimZ, repeats);

    print(&gridOld[0], dimX, dimY, dimZ);
}

示例#2

文件： docking.cpp 项目： HeyJJ/Protein_Docking_Tool

void Docking::outputToGrid(const ScoreConfiguration& scoreConfiguration, const pair<string, string> receptorFile, const pair<string, string> ligandFile, double gridSize, double gridCellSize)
{
	Protein newReceptor, newLigand;

	this->setConfiguration(scoreConfiguration, newReceptor, newLigand);

	Grid gridNew(gridSize, gridCellSize);

	gridNew.generateFromCoefficients(newReceptor.inner_);
	gridNew.exportToFile(receptorFile.first);
	gridNew.generateFromCoefficients(newReceptor.outer_);
	gridNew.exportToFile(receptorFile.second);

	gridNew.generateFromCoefficients(newLigand.inner_);
	gridNew.exportToFile(ligandFile.first);
	gridNew.generateFromCoefficients(newLigand.outer_);
	gridNew.exportToFile(ligandFile.second);
}