#!/usr/bin/python import os,sys from process import process import common par=common.parameter class phcomb(process): name="reciprocal space phase combination" short_name="phase combination" supported_progs=["multicomb","refmac"] supported_params = {} supported_params['target'] = par( desc='Experiment/refinement target', typ=str, cap=True ) supported_params['cycles'] = par( desc='Number of substructure refinement cycles', typ=int ) supported_params['beta'] = par( desc='Bias parameter for the map combination', typ=float ) supported_params['comb_with_typ'] = par( desc='Combine phases with the specified mapcoef type', typ=str ) def TreatInOutPar(self, set_all_par=False): # consult with Raj, adjust accordingly if needed if not self.GetProg(supported=True): if self.GetVirtPar('target') == 'MLHL': self.AddProg('multicomb') else: self.AddProg('refmac') if not self.GetVirtPar('comb_with_typ'): self.SetVirtPar('comb_with_typ', 'densmod') # disabling hydrogens for refmac by default if self.GetProg(supported=True).nick=='refmac' and not self.GetProg(supported=True).IsKey('make'): self.GetProg(supported=True).SetKey('make',('hydrogens','no')) process.TreatInOutPar(self,set_all_par)