problem reading database

[Yost]

Hi there,
I'm new to PhreeqPy and trying to run the COM interface from a python script, inspired by
 
http://water.usgs.gov/nrp/proj.bib/Publications/2011/muller_parkhurst_etal_2011.pdf

My script is at the end of this post and it fails at the last line with the error message below, which complains about the database. I double checked the database path name is readable and I installed the PhreeqPy tools without incident. What could be the problem here?

Any insights would be greatly appreciated,
Cheers,
Joost



===============================================
Error:

Traceback (most recent call last):
  File "IPhreeqc_stripped.py", line 38, in <module>
    phreeqc.run_string(initial_conditions)
  File "/usr/local/lib/python2.7/dist-packages/phreeqpy-0.2.0-py2.7.egg/phreeqpy/iphreeqc/phreeqc_dll.py", line 287, in run_string
    self.raise_string_error(errors)
  File "/usr/local/lib/python2.7/dist-packages/phreeqpy-0.2.0-py2.7.egg/phreeqpy/iphreeqc/phreeqc_dll.py", line 117, in raise_string_error
    raise Exception(msg + self.get_error_string())
Exception: An error occured.
ERROR: RunString: No database is loaded


================================================
code:

def make_initial_conditions ():
#"""
#Specify initial conditions data blocks.
#Uniform initial conditions are assumed.
#"""
 initial_conditions = """
 TITLE Example 11.--Transport and ion exchange.
 SOLUTION 0 CaCl2
 units mmol/kgw
 temp 25.0
 pH 7.0 charge
 pe 12.5 O2(g) -0.68
 Ca 0.6
 Cl 1.2
 SOLUTION 1 Initial solution for column
 units mmol/kgw
 temp 25.0
 pH 7.0 charge
 pe 12.5 O2(g) -0.68
 Na 1.0
 K 0.2
 N(5) 1.2
 END
 EXCHANGE 1
 equilibrate 1
 X 0.0011
 END
 """
 return initial_conditions

from ctypes import *
cdll.LoadLibrary("/usr/local/lib/python2.7/dist-packages/phreeqpy-0.2.0-py2.7.egg/phreeqpy/iphreeqc/libiphreeqc.so.0.0.0")
import phreeqpy.iphreeqc.phreeqc_dll as phreeqc_mod
phreeqc = phreeqc_mod.IPhreeqc()

phreeqc.load_database(r"phreeqc.dat")
initial_conditions = make_initial_conditions()
phreeqc.run_string(initial_conditions)

[Parkhurst, David]

Don't know, but you should probably check the return value for the load_database step. It looks as if it must have failed.

David Parkhurst
Hydrologist
dlp...@usgs.gov
Profile: https://profile.usgs.gov/dlpark
Project: http://wwwbrr.cr.usgs.gov/projects/GWC_coupled

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[Charlton, Scott]

Also, make sure the database (phreeqc.dat) is in the same directory as your python script.

On Thu, Oct 31, 2013 at 7:25 AM, Yost <summer...@gmail.com> wrote:

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Scott Charlton

(char...@usgs.gov)