Zohreh,
The code snippets you have provided do not suggest you are doing anything
that requires sympy. So, I am confused. It looks like you need a function
that generates a string of the summations in your expression, when passed
species. I think there is a fixed number of parameters for each species.
You are probably better off building the string for your expressions
without involving sympy. I am thinking something like this to define part
of your fit function:
def term(species_name):
return(species_name+'_param1*conc_'+species_name+'+'+species_name+'_param2*np.sqrt(conc_'+species_name+')')
Then
term('Cl')
returns
'Cl_param1*conc_Cl+Cl_param2*np.sqrt(conc_Cl)'
Then build your overall expression from these pieces. Then do a fit with
initial guesses for all the parameters.
That's how I would do it unless I am manipulating the expressions using
sympy first.
Jonathan
On Wednesday, August 24, 2022 at 11:11:58 AM UTC-5 [email protected]
wrote:
> I should extract the required model for each system of chemicals and do a
> least squre for derived model and parameters to find the parameters for
> each chemical systems.
>
>
> Zohreh Karimzadeh
>
> Contact me on
> +989102116325 <+98%20910%20211%206325>
> and at
> [email protected]
> 🌧️🌍🌱
>
> On Wed, 24 Aug 2022, 19:33 [email protected], <[email protected]> wrote:
>
>> Zohreh,
>>
>> I pulled the paper. I see no reason you need to use SymPy to do the
>> numerical fitting. I would approach this by inputting the species in a
>> dictionary or list and then use that to call functions that generate the
>> computed value for each term/sum. Are you trying to keep track of the
>> complete symbolic expression or do a numerical calculation?
>>
>> If you are using chemical symbols or reactions, are you taking advantage
>> of ChemPy?
>>
>> Jonathan
>> On Tuesday, August 23, 2022 at 12:01:02 AM UTC-5 [email protected]
>> wrote:
>>
>>> As following, I should generate each parameters dynamically (for 20-30
>>> terms):
>>>
>>> term_vnca = 0
>>> for k in anion:
>>> for j in cation:
>>> for i in neutral:
>>> term_vnca += term_vncX - 4 * 3 * sp.symbols(f'X{str(k)}') *
>>> sp.symbols('X{0}'.format(str(i))) \
>>> ** 2 * sp.symbols(f'V{str(i)}{str(j)}{str(k)}')
>>> lnfXs = term_wnca + term_unca + term_vnca + termx_w_solvent1 +
>>> termx_w_solvent2
>>>
>>> Zohreh Karimzadeh
>>> *https://www.researchgate.net/profile/Zohreh-Karimzadeh*
>>> <https://www.researchgate.net/profile/Zohreh-Karimzadeh>
>>> Skype Name 49a52224a8b6b38b
>>> Twitter Account @zohrehkarimzad1
>>> [email protected]
>>> +989102116325 <+98%20910%20211%206325>
>>>
>>> ((((((((((((((((Value Water)))))))))))))))
>>>
>>>
>>> On Tue, Aug 23, 2022 at 9:26 AM Zohreh Karimzadeh <[email protected]>
>>> wrote:
>>>
>>>> Not these model and parameters, My model is very complicated wit large
>>>> number of parameters:
>>>> [image: image.png]
>>>> As a very simple example I raise this question.
>>>> Zohreh Karimzadeh
>>>>
>>>> Contact me on
>>>> +989102116325 <+98%20910%20211%206325>
>>>> and at
>>>> [email protected]
>>>> 🌧️🌍🌱
>>>>
>>>>
>>>> On Tue, 23 Aug 2022, 05:16 Peter Stahlecker, <[email protected]>
>>>> wrote:
>>>>
>>>>> Dear Zohreh,
>>>>>
>>>>> Just for my understanding:
>>>>> 1.
>>>>> You params are alpha, betta ,gamma, eta (?)
>>>>> 2.
>>>>> What do you mean by generating them dynamically?
>>>>>
>>>>> Peter
>>>>>
>>>>> On Tue 23. Aug 2022 at 02:44 Zohreh Karimzadeh <[email protected]>
>>>>> wrote:
>>>>>
>>>>>> Dear Oscar
>>>>>> BIG help !
>>>>>> Here I seriously need to use sympy to generate my params dynamically.
>>>>>> All Bests
>>>>>> Zohreh Karimzadeh
>>>>>> *https://www.researchgate.net/profile/Zohreh-Karimzadeh*
>>>>>> <https://www.researchgate.net/profile/Zohreh-Karimzadeh>
>>>>>> Skype Name 49a52224a8b6b38b
>>>>>> Twitter Account @zohrehkarimzad1
>>>>>> [email protected]
>>>>>> +989102116325 <+98%20910%20211%206325>
>>>>>>
>>>>>> ((((((((((((((((Value Water)))))))))))))))
>>>>>>
>>>>>>
>>>>>> On Mon, Aug 22, 2022 at 7:42 PM Oscar Benjamin <[email protected]>
>>>>>> wrote:
>>>>>>
>>>>>>> On Mon, 22 Aug 2022 at 15:36, Peter Stahlecker
>>>>>>> <[email protected]> wrote:
>>>>>>> >
>>>>>>> > Dear Oscar,
>>>>>>> >
>>>>>>> > Thanks for your hint about these parameters!.
>>>>>>> > Probably dumb question of mine:
>>>>>>> > Could one not define f_Vi_est directly as
>>>>>>> >
>>>>>>> > def_Vi_est(gamma, alfa, beta, eta, L, K, VA):
>>>>>>> > Vi_est = gamma - (1 / eta)…..
>>>>>>> > return np.sum(…..)
>>>>>>> >
>>>>>>> > without any ‚lambdification‘?
>>>>>>>
>>>>>>> Yes. In an earlier post the OP showed that they had working code like
>>>>>>> that but wanted to know how to do it using SymPy and lambdify. I
>>>>>>> presume there is a reason for wanting to use SymPy there (perhaps to
>>>>>>> accomplish something slightly different from the exact code shown).
>>>>>>> It's also possible that there isn't any actual reason to use SymPy
>>>>>>> for
>>>>>>> this at all though.
>>>>>>>
>>>>>>> --
>>>>>>> Oscar
>>>>>>>
>>>>>>> --
>>>>>>> You received this message because you are subscribed to the Google
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>>>>>>> send an email to [email protected].
>>>>>>> To view this discussion on the web visit
>>>>>>> https://groups.google.com/d/msgid/sympy/CAHVvXxQJUuZ4tVnECPyWE%3DLd03hhhUB5mqv1bjHcjSNf9WP22Q%40mail.gmail.com
>>>>>>> .
>>>>>>>
>>>>>> --
>>>>>> You received this message because you are subscribed to the Google
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>>>>>> To unsubscribe from this group and stop receiving emails from it,
>>>>>> send an email to [email protected].
>>>>>> To view this discussion on the web visit
>>>>>> https://groups.google.com/d/msgid/sympy/CA%2B1XYLOMV_i3VJXwwVN7JWnuJ9Wo6ZPhULmC1SOubAfFLt-DBQ%40mail.gmail.com
>>>>>>
>>>>>> <https://groups.google.com/d/msgid/sympy/CA%2B1XYLOMV_i3VJXwwVN7JWnuJ9Wo6ZPhULmC1SOubAfFLt-DBQ%40mail.gmail.com?utm_medium=email&utm_source=footer>
>>>>>> .
>>>>>>
>>>>> --
>>>>> Best regards,
>>>>>
>>>>> Peter Stahlecker
>>>>>
>>>>> --
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>>>>> To view this discussion on the web visit
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>>>>>
>>>>> <https://groups.google.com/d/msgid/sympy/CABKqA0YTOzyZkjhnQmKQKQh-Mrc_H_TcmD9FrXObaTadkfLpkQ%40mail.gmail.com?utm_medium=email&utm_source=footer>
>>>>> .
>>>>>
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>>
> To view this discussion on the web visit
>> https://groups.google.com/d/msgid/sympy/17d62c5c-11d8-4b1b-9a44-ae67c8021832n%40googlegroups.com
>>
>> <https://groups.google.com/d/msgid/sympy/17d62c5c-11d8-4b1b-9a44-ae67c8021832n%40googlegroups.com?utm_medium=email&utm_source=footer>
>> .
>>
>
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