Jonathan has recommended to use string instead of sympy approche to
derive your model and -parameters.
But I stated that my model is driven dynamically. It means, as an
example for one term in model I have:
term_unca = 0
for k in anion:
for j in cation:
for i in neutral:
term_unca += term_uncX - 2 *
sp.symbols('X{0}'.format(str(i))) * sp.symbols(f'X{str(j)}') * \
sp.symbols(f'X{str(k)}') * ((cation[j] +
anion[k]) ** 2 / (cation[j] * anion[k])) \
* sp.symbols(f'U{str(i)}{str(j)}{str(k)}')
This way all the parameters should be created for each run of fitting.
Zohreh Karimzadeh
https://www.researchgate.net/profile/Zohreh-Karimzadeh
Skype Name 49a52224a8b6b38b
Twitter Account @zohrehkarimzad1
[email protected]
+989102116325
((((((((((((((((Value Water)))))))))))))))
Zohreh Karimzadeh
https://www.researchgate.net/profile/Zohreh-Karimzadeh
Skype Name 49a52224a8b6b38b
Twitter Account @zohrehkarimzad1
[email protected]
+989102116325
((((((((((((((((Value Water)))))))))))))))
On Fri, Aug 26, 2022 at 7:58 AM Peter Stahlecker
<[email protected]> wrote:
>
> Dear Zohreh,
>
> I think, you should describe precisely what you want, rather than referring
> to previous correspondence.
> Someone out there (likely not me) might have a solution to what you need -
> but cannot be bothered to read through you previous correspondence.
>
> 1.
> Parameter names should be made in a dynamic way.
> what exactly do you mean by this?
> Better give an example of what you would like to do.
>
> 2.
> how using for loop in string can be simultaneously handled.
> I have no idea, what your question is - and I am afraid, not many people
> understand.
> Better give an example of what you want to do.
>
> Peter
>
> On Fri 26. Aug 2022 at 04:42 Zohreh Karimzadeh <[email protected]> wrote:
>>
>> As can be seen in the former script, parameter names should be made in a
>> dynamic way.
>> I am wondering how using for loop in string can be simultaneously handled.
>> Regards,
>> Zohreh Karimzadeh
>> https://www.researchgate.net/profile/Zohreh-Karimzadeh
>> Skype Name 49a52224a8b6b38b
>> Twitter Account @zohrehkarimzad1
>> [email protected]
>> +989102116325
>> ((((((((((((((((Value Water)))))))))))))))
>>
>>
>> On Wed, Aug 24, 2022 at 9:32 PM [email protected] <[email protected]> wrote:
>>>
>>> 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
>>>> 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
>>>>>> Skype Name 49a52224a8b6b38b
>>>>>> Twitter Account @zohrehkarimzad1
>>>>>> [email protected]
>>>>>> +989102116325
>>>>>> ((((((((((((((((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:
>>>>>>>
>>>>>>> As a very simple example I raise this question.
>>>>>>> Zohreh Karimzadeh
>>>>>>>
>>>>>>> Contact me on
>>>>>>> +989102116325
>>>>>>> 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
>>>>>>>>> Skype Name 49a52224a8b6b38b
>>>>>>>>> Twitter Account @zohrehkarimzad1
>>>>>>>>> [email protected]
>>>>>>>>> +989102116325
>>>>>>>>> ((((((((((((((((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].
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>>>>>>>>>> https://groups.google.com/d/msgid/sympy/CAHVvXxQJUuZ4tVnECPyWE%3DLd03hhhUB5mqv1bjHcjSNf9WP22Q%40mail.gmail.com.
>>>>>>>>>
>>>>>>>>> --
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>>>>>>>>
>>>>>>>> --
>>>>>>>> Best regards,
>>>>>>>>
>>>>>>>> Peter Stahlecker
>>>>>>>>
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>>>>>
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>>>>>
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>>>>>
>>>>>
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>
> --
> Best regards,
>
> Peter Stahlecker
>
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