Create more than one instance of IPhreeqc

[Ivan M]

Hi all,

I'm trying to create more than one instance of IPhreeqc with CreatePhreeqc call, but it seems that this does not work - only one instance of IPhreeqc seems to be able to be created in the same program. Is this correct? 

If so, what is the best approach to create several solutions, each one with the same elements and species but with different concentrations, and the concentrations changing by external calls?

Cheers

_________________________________________

Ivan S.P. Marin, PhD

 

Postdoctoral Associate

Département de géologie et de génie géologique

Pavillon Adrien-Pouliot, local 3744

1065. ave de la Médecine

Université Laval

Québec (Québec) Canada

G1V 0A6

418-656-2131 poste 7246

 ivan.silvestre-...@ulaval.ca

[Parkhurst, David]

No, that should not be correct.

When you create an IPhreeqc (for C, id = CreateIPhreeqc(); or for Fortran, id = CreateIPhreeqc()), you get an id number. You must reference the different IPhreeqc instances with the different id values that are returned.

That said, you normally use one IPhreeqc instance to contain multiple solutions. There is quite a bit of overhead in each IPhreeqc instance, so you probably want to limit the number of them to say 10 or less, unless you have a good reason for more. For instance, I use one for each processor to parallelize in PHAST. 

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[Dr. Mike Mueller]

Am 06.02.13 23:01, schrieb Ivan M:

> Hi all,
>
> I'm trying to create more than one instance of IPhreeqc with CreatePhreeqc
> call, but it seems that this does not work - only one instance of IPhreeqc
> seems to be able to be created in the same program. Is this correct?

With PhreeqPy you can make several instances of phreeqpy.phreeqc_dll.IPhreeqc.
Each instance uses a different IPhreeqc instance in the background and
keeps track of the id. For example:

from phreeqpy.iphreeqc.phreeqc_dll import IPhreeqc

ipc1 = IPhreeqc()
ipc2 = IPhreeqc()
ipc1.load_database('databases1.dat')
ipc2.load_database('databases2.dat')

HTH,
Mike

>
> If so, what is the best approach to create several solutions, each one with the
> same elements and species but with different concentrations, and the
> concentrations changing by external calls?
>
> Cheers
> _________________________________________
> Ivan S.P. Marin, PhD
>
> Postdoctoral Associate

> D�partement de g�ologie et de g�nie g�ologique
> Pavillon Adrien-Pouliot, local 3744
> 1065. ave de la M�decine
> Universit� Laval
> Qu�bec (Qu�bec) Canada

> G1V 0A6
> 418-656-2131 poste 7246
> ivan.silvestre-...@ulaval.ca

> <mailto:ivan.silvestre-...@ulaval.ca>

[Ivan M]

Hi Mike,

Thanks for your answer.

2013/2/6 Dr. Mike Mueller <mmue...@hydrocomputing.com>

Am 06.02.13 23:01, schrieb Ivan M:

> Hi all,
>
> I'm trying to create more than one instance of IPhreeqc with CreatePhreeqc
> call, but it seems that this does not work - only one instance of IPhreeqc
> seems to be able to be created in the same program. Is this correct?

With PhreeqPy you can make several instances of phreeqpy.phreeqc_dll.IPhreeqc.
Each instance uses a different IPhreeqc instance in the background and
keeps track of the id. For example:

from phreeqpy.iphreeqc.phreeqc_dll import IPhreeqc

ipc1 = IPhreeqc()
ipc2 = IPhreeqc()
ipc1.load_database('databases1.dat')
ipc2.load_database('databases2.dat')

HTH,
Mike

This is the approach that I'm using with the Python version of the code that I'm developing and it seems to be working quite alright. 

Cheers

 

>
> If so, what is the best approach to create several solutions, each one with the
> same elements and species but with different concentrations, and the
> concentrations changing by external calls?
>
> Cheers
> _________________________________________
> Ivan S.P. Marin, PhD
>
> Postdoctoral Associate

> Département de géologie et de génie géologique

> Pavillon Adrien-Pouliot, local 3744

> 1065. ave de la Médecine
> Université Laval

> Québec (Québec) Canada