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C++ Trajectory::get_next_frame方法代码示例

本文整理汇总了C++中Trajectory::get_next_frame方法的典型用法代码示例。如果您正苦于以下问题:C++ Trajectory::get_next_frame方法的具体用法?C++ Trajectory::get_next_frame怎么用?C++ Trajectory::get_next_frame使用的例子?那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在Trajectory的用法示例。


在下文中一共展示了Trajectory::get_next_frame方法的1个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C++代码示例。

示例1: analyze

void TrajectoryAnalyzer::analyze(Trajectory & trajectory,
                                 std::vector<std::shared_ptr<ProteinSegment>> & protein_segments,
                                 const double & temperature,
                                 const int ensemble_size) {

    std::vector<ProteinSegmentEnsemble> protein_segment_ensembles;

    LOGD << "Fitting protein segments with trajectory frames and computing force constants.";
    while (trajectory.has_next()) {
        for (std::shared_ptr<ProteinSegment> const & protein_segment : protein_segments) {
            protein_segment_ensembles.push_back(ProteinSegmentEnsemble(protein_segment));
        }

        LOGD << "adding frames to protein segment ensembles";
        int frame_nr = 0;
        while (trajectory.has_next() && ++frame_nr <= ensemble_size) {
            Frame frame = trajectory.get_next_frame();

            #pragma omp parallel for
            for (size_t i = 0; i < protein_segment_ensembles.size(); i++) {
                protein_segment_ensembles[i].add_frame(frame);
            }

            LOGV_IF(frame_nr % 100 == 0) << "read " << frame_nr << " frames";
        }
        LOGD << "read total number of " << frame_nr << " frames";

        LOGD << "computing force constants for protein segment ensembles.";
        #pragma omp parallel for
        for (size_t i = 0; i < protein_segment_ensembles.size(); i++) {
            protein_segment_ensembles[i].compute_force_constant(temperature);
        }
    }
    LOGD << "Finished analyzing trajectory";
}
开发者ID:AFriemann,项目名称:LowCarb,代码行数:35,代码来源:TrajectoryAnalyzer.cpp


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