average.py 文件源码

python
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项目:capriqorn 作者: bio-phys 项目源码 文件源码
def apply_rescaling(self, frm_in, frm_out, n_avg, virtual_param):
        """Apply rescaling and averaging operations."""
        frm_out.i = frm_in.i
        # --- perform averaging on histograms
        val = np.float_(self.factor) / np.float_(n_avg)
        # --- rescale distance histograms
        if frm_out.has_key(base.loc_histograms):
            X = frm_out.get_data(base.loc_histograms)
            dict_util.scale_values(X, val)
        # --- multiref: rescale shell XX histogram
        if (virtual_param is not None and self.geometry == 'MultiReferenceStructure'):
            if frm_out.has_key(base.loc_shell_Hxx):
                X = frm_out.get_data(base.loc_shell_Hxx)
                dict_util.scale_values(X, val)
        # --- rescale length histograms
        if frm_out.has_key(base.loc_len_histograms):
            X = frm_out.get_data(base.loc_len_histograms)
            dict_util.scale_values(X, val)
        # ---
        frm_out.put_data('log', frm_in.get_data('log'))
        frm_out.put_meta(self.get_meta(n_avg=n_avg))
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