You are mixing numerical and string expressions. You must make everything a
string expression.
Example
Ionic = 0
Ionic += 0.5 * (('X'+str(k1)) * (ionic_dic[k1] ** 2))
Should be
Ionic = ""
Ionic += "+0.5 * ((X"+str(k1)+") * ("+str(ionic_dic[k1])+'"** 2))"
On Thursday, September 1, 2022 at 7:11:34 AM UTC-5 [email protected]
wrote:
> Dear Jhonoton
> If my best choice is the first then I have will have difficulty to pass
> some stuff in my string, as an example:
>
> cation = {'Na': 1,'Cl':2}
> anion = {'Cl': 1}
>
>
> ionic_dic = dict()
> for d in (cation, anion):
> ionic_dic.update(d)
> def ionicstr():
> Ionic = 0
> sqrt_I = 0
> for k1 in ionic_dic:
>
> Ionic += 0.5 * (('X'+str(k1)) * (ionic_dic[k1] ** 2))
> sqrt_I += (Ionic) ** 0.5
>
> print(Ionic, sqrt_I)
> return Ionic, sqrt_I
>
> def term():
> for i in cation:
> A ='X' + str(i) + str(ionicstr()[0])
> print(A)
> return A
> term()
>
> Is there any way to pass computed ionicstr()[0] to string??
> Zohreh Karimzadeh
> Skype Name 49a52224a8b6b38b
> Twitter Account @zohrehkarimzad1
> +989102116325 <+98%20910%20211%206325>
>
> ((((((((((((((((Value Water)))))))))))))))
>
>
> On Thu, Sep 1, 2022 at 12:43 AM [email protected] <[email protected]> wrote:
>
>> Zohreh,
>>
>> I cannot tell you what is your best choice until you tell me what you are
>> doing after you build the expression. Is it 1 or 2, as I asked before?
>>
>> 1) You ultimately pass a string expression to lmfit or some other fitting
>> package that is parsed into a numpy expression for fitting or something
>> similar.
>>
>> 2)You are making your own model function that returns a number every time
>> it is called by some other package (fitting?).
>>
>> Please explain exactly how you wish to use the expression you are
>> developing and, if you are using it with another tool, which one?
>>
>> Regards,
>> Jonathan
>> On Friday, August 26, 2022 at 9:24:32 PM UTC-5 [email protected] wrote:
>>
>>> Dear Jonathan
>>> Thank you for your reply.
>>> About using strings instead of sympy good idea, It is necessary to
>>> know that there are bunch of functions that are inserted in the main
>>> model as one of them :
>>>
>>> anion = {'Cl': 1}
>>> cation = {'Na': 1}
>>> ionic_dic = dict()
>>> for d in (cation, anion):
>>> ionic_dic.update(d)
>>> def ionicstr():
>>> Ionic = 0
>>> sqrt_I = 0
>>> for k1 in ionic_dic:
>>> Ionic += 0.5 * (sp.symbols('X{0}'.format(str(k1))) *
>>> (ionic_dic[k1] ** 2))
>>> sqrt_I += sp.sqrt(Ionic)
>>> print(Ionic, sqrt_I)
>>> return Ionic, sqrt_I
>>> AS can be seen while all of these kinds of functions must be evaluated
>>> or substituted in the main model.
>>> Is it still possible to use strings instead of sympy??
>>> Regards,
>>> Zohreh
>>>
>>> On Fri, Aug 26, 2022 at 6:04 PM [email protected] <[email protected]>
>>> wrote:
>>> >
>>> > Zohreh,
>>> >
>>> > It is still unclear what you are actually doing. I can think of two
>>> possibilities (are either of them correct?):
>>> >
>>> > 1) You ultimately pass a string expression to lmfit or some other
>>> fitting package that is parsed into a numpy expression for fitting or
>>> something similar. So I am suggesting that you remove the intermediate step
>>> of creating a sympy expression to make things more efficient. You can
>>> generate the string expression dynamically in essentially the same way you
>>> are currently generating the sympy expression, but avoid having the
>>> intermediate step of using sympy to generate the expression and then using
>>> it to generate a string expression that is parsed again.
>>> >
>>> > 2) Alternatively, you may be making your own model function (I believe
>>> for lmfit). In that case you need to generate a function that does a
>>> calculation. I see no reason it has to have human readable names for the
>>> parameters in the actual calculation. However, you could connect them with
>>> human readable names through a dictionary or something like that.
>>> >
>>> > If you want a string, your code is almost there. As long as the
>>> elements of cation and anion are strings. Just replace things like
>>> sp.symbols('X{0}'.format(str(i))) with 'X_'+str(i). But maybe that is not
>>> what you are doing.
>>> >
>>> > Jonathan
>>> >
>>> > On Friday, August 26, 2022 at 5:03:00 AM UTC-5 [email protected]
>>> wrote:
>>> >>
>>> >> 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 <+98%20910%20211%206325>
>>> >> ((((((((((((((((Value Water)))))))))))))))
>>> >>
>>> >> 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 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 <+98%20910%20211%206325>
>>> >> >> ((((((((((((((((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 <+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
>>> >> >>>>>> 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:
>>> >> >>>>>>>
>>> >> >>>>>>> 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
>>> >> >>>>>>>>> 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 Groups "sympy" group.
>>> >> >>>>>>>>>> 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/CAHVvXxQJUuZ4tVnECPyWE%3DLd03hhhUB5mqv1bjHcjSNf9WP22Q%40mail.gmail.com.
>>>
>>>
>>> >> >>>>>>>>>
>>> >> >>>>>>>>> --
>>> >> >>>>>>>>> You received this message because you are subscribed to the
>>> Google Groups "sympy" group.
>>> >> >>>>>>>>> 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.
>>>
>>>
>>> >> >>>>>>>>
>>> >> >>>>>>>> --
>>> >> >>>>>>>> Best regards,
>>> >> >>>>>>>>
>>> >> >>>>>>>> Peter Stahlecker
>>> >> >>>>>>>>
>>> >> >>>>>>>> --
>>> >> >>>>>>>> You received this message because you are subscribed to the
>>> Google Groups "sympy" group.
>>> >> >>>>>>>> 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/CABKqA0YTOzyZkjhnQmKQKQh-Mrc_H_TcmD9FrXObaTadkfLpkQ%40mail.gmail.com.
>>>
>>>
>>> >> >>>>>
>>> >> >>>>> --
>>> >> >>>>> You received this message because you are subscribed to the
>>> Google Groups "sympy" group.
>>> >> >>>>> 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/17d62c5c-11d8-4b1b-9a44-ae67c8021832n%40googlegroups.com.
>>>
>>>
>>> >> >>>>>
>>> >> >>>>>
>>> >> >>> --
>>> >> >>> You received this message because you are subscribed to the
>>> Google Groups "sympy" group.
>>> >> >>> 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/837a3351-3aa3-4e1e-98d6-b34f3185d5b2n%40googlegroups.com.
>>>
>>>
>>> >> >>
>>> >> >> --
>>> >> >> You received this message because you are subscribed to the Google
>>> Groups "sympy" group.
>>> >> >> 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%2B1XYLMEq2OLN0npw8RHfghS7m6vgewkrpshqw8gBBU%2BfUAnoQ%40mail.gmail.com.
>>>
>>>
>>> >> >
>>> >> > --
>>> >> > Best regards,
>>> >> >
>>> >> > Peter Stahlecker
>>> >> >
>>> >> > --
>>> >> > You received this message because you are subscribed to the Google
>>> Groups "sympy" group.
>>> >> > 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/CABKqA0b261cO3ixRjsp_YPU0Yk1ahRVgnEytcOkLrQUW-eHdwQ%40mail.gmail.com.
>>>
>>>
>>> >
>>> > --
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>>> Groups "sympy" group.
>>> > 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/ec94798a-fcdc-4df8-b80e-2642f5a60ec5n%40googlegroups.com.
>>>
>>>
>>>
>> --
>> You received this message because you are subscribed to the Google Groups
>> "sympy" group.
>> 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/54b70a36-3ee5-4d14-b30a-813b8fbf31fcn%40googlegroups.com
>>
>> <https://groups.google.com/d/msgid/sympy/54b70a36-3ee5-4d14-b30a-813b8fbf31fcn%40googlegroups.com?utm_medium=email&utm_source=footer>
>> .
>>
>
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