How to use the radis.lbl.labels.vib_lvl_name_cdsd_pc function in radis

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github radis / radis / radis / lbl / bands.py View on Github external
if lvlformat in ['cdsd-pc', 'cdsd-pcN', 'cdsd-hamil']:

            # ensures that vib_lvl_name functions wont crash
            if dbformat not in ['cdsd-hitemp', 'cdsd-4000', 'hitran']:
                raise NotImplementedError('lvlformat {0} not supported with dbformat {1}'.format(
                    lvlformat, dbformat))

            # Use vibrational nomenclature of CDSD (p,c,j,n) or HITRAN (v1v2l2v3J)
            # depending on the Level Database.
            # In both cases, store the other one.

            # ... note: vib level in a CDSD (p,c,j,n) database is ambiguous.
            # ... a vibrational energy Evib can have been defined for every (p, c) group:
            if lvlformat in ['cdsd-pc']:
                viblvl_l_cdsd = vib_lvl_name_cdsd_pc(df.polyl, df.wangl)
                viblvl_u_cdsd = vib_lvl_name_cdsd_pc(df.polyu, df.wangu)
            # ... or for every (p, c, N) group:
            elif lvlformat in ['cdsd-pcN']:
                viblvl_l_cdsd = vib_lvl_name_cdsd_pcN(
                    df.polyl, df.wangl, df.rankl)
                viblvl_u_cdsd = vib_lvl_name_cdsd_pcN(
                    df.polyu, df.wangu, df.ranku)
            # ... or for every level (p, c, J ,N)  (that's the case if coupling terms 
            # are used taken into account... it also takes a much longer time 
            # to look up vibrational energies in the LineDatabase, warning!):
            elif lvlformat in ['cdsd-hamil']:
                viblvl_l_cdsd = vib_lvl_name_cdsd_pcJN(
                    df.polyl, df.wangl, df.jl, df.rankl)
                viblvl_u_cdsd = vib_lvl_name_cdsd_pcJN(
                    df.polyu, df.wangu, df.ju, df.ranku)
            else:
github radis / radis / radis / levels / partfunc_cdsd.py View on Github external
def _add_levels(self, df):

        viblvl_label = self.viblvl_label

        if viblvl_label == 'p':
            df['viblvl'] = vib_lvl_name_cdsd_p(df.p, )
        elif viblvl_label == 'pc':
            df['viblvl'] = vib_lvl_name_cdsd_pc(df.p, df.c)
        elif viblvl_label == 'pcN':
            df['viblvl'] = vib_lvl_name_cdsd_pcN(df.p, df.c, df.N)
        elif viblvl_label == 'pcJN':
            df['viblvl'] = vib_lvl_name_cdsd_pcJN(df.p, df.c, df.j, df.N)
        elif viblvl_label is None:
            # dont label the levels. Wont be able to use the EnergyDatabase to fetch
            # vibrational energies for lines, however it can still be used to 
            # calculate Partition functions independently from a Spectrum calculation
            pass 
        else:
            raise ValueError(
                'Unexpected viblvl_label value: {0}'.format(viblvl_label))

        return df
github radis / radis / radis / lbl / bands.py View on Github external
if lvlformat in ['cdsd-pc', 'cdsd-pcN', 'cdsd-hamil']:

            # ensures that vib_lvl_name functions wont crash
            if dbformat not in ['cdsd-hitemp', 'cdsd-4000', 'hitran']:
                raise NotImplementedError('lvlformat {0} not supported with dbformat {1}'.format(
                    lvlformat, dbformat))

            # Use vibrational nomenclature of CDSD (p,c,j,n) or HITRAN (v1v2l2v3J)
            # depending on the Level Database.
            # In both cases, store the other one.

            # ... note: vib level in a CDSD (p,c,j,n) database is ambiguous.
            # ... a vibrational energy Evib can have been defined for every (p, c) group:
            if lvlformat in ['cdsd-pc']:
                viblvl_l_cdsd = vib_lvl_name_cdsd_pc(df.polyl, df.wangl)
                viblvl_u_cdsd = vib_lvl_name_cdsd_pc(df.polyu, df.wangu)
            # ... or for every (p, c, N) group:
            elif lvlformat in ['cdsd-pcN']:
                viblvl_l_cdsd = vib_lvl_name_cdsd_pcN(
                    df.polyl, df.wangl, df.rankl)
                viblvl_u_cdsd = vib_lvl_name_cdsd_pcN(
                    df.polyu, df.wangu, df.ranku)
            # ... or for every level (p, c, J ,N)  (that's the case if coupling terms 
            # are used taken into account... it also takes a much longer time 
            # to look up vibrational energies in the LineDatabase, warning!):
            elif lvlformat in ['cdsd-hamil']:
                viblvl_l_cdsd = vib_lvl_name_cdsd_pcJN(
                    df.polyl, df.wangl, df.jl, df.rankl)
                viblvl_u_cdsd = vib_lvl_name_cdsd_pcJN(
                    df.polyu, df.wangu, df.ju, df.ranku)
            else:
                raise ValueError(
github radis / radis / radis / lbl / overp.py View on Github external
def vib_lvl_name_cdsd(p, c, N): 
                return vib_lvl_name_cdsd_pc(p, c)