Removed cadet.py from CADETMatch and now used the CADET-python packag…

…e that has just been uploaded to PyPi
cadet · Sep 19, 2019 · 49b98f5 · 49b98f5
1 parent eb0feed
commit 49b98f5
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Showing 19 changed files with 16 additions and 207 deletions.
diff --git a/.gitignore b/.gitignore
@@ -303,3 +303,4 @@ __pycache__/
 /dist
 /CADETMatch_kosh.egg-info
 /Examples/Example1/Dextran/fit_nsga3_deap
+/build/lib/CADETMatch
diff --git a/CADETMatch.egg-info/PKG-INFO b/CADETMatch.egg-info/PKG-INFO
@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: CADETMatch
-Version: 0.2
+Version: 0.3
 Summary: CADETMatch is a parameter estimation and error modeling library for CADET
 Home-page: https://github.com/modsim/CADET-Match
 Author: William Heymann

diff --git a/CADETMatch.egg-info/SOURCES.txt b/CADETMatch.egg-info/SOURCES.txt
@@ -4,7 +4,6 @@ setup.py
 CADETMatch/__init__.py
 CADETMatch/autocorr.py
 CADETMatch/cache.py
-CADETMatch/cadet.py
 CADETMatch/calc_coeff.py
 CADETMatch/checkpoint_algorithms.py
 CADETMatch/evo.py

diff --git a/CADETMatch/CADETMatch.pyproj b/CADETMatch/CADETMatch.pyproj
@@ -33,9 +33,6 @@
     <Compile Include="cache.py">
       <SubType>Code</SubType>
     </Compile>
-    <Compile Include="cadet.py">
-      <SubType>Code</SubType>
-    </Compile>
     <Compile Include="jupyter.py">
       <SubType>Code</SubType>
     </Compile>

diff --git a/CADETMatch/cache.py b/CADETMatch/cache.py
@@ -2,7 +2,7 @@
 
 from pathlib import Path
 import json
-from CADETMatch.cadet import Cadet
+from cadet import Cadet
 
 import numpy
 

diff --git a/CADETMatch/cadet.py b/CADETMatch/cadet.py
diff --git a/CADETMatch/evo.py b/CADETMatch/evo.py
@@ -6,7 +6,7 @@
 from deap import creator
 from deap import tools
 
-from CADETMatch.cadet import Cadet
+from cadet import Cadet
 
 import CADETMatch.cache as cache
 

diff --git a/CADETMatch/generate_corner_graphs.py b/CADETMatch/generate_corner_graphs.py
@@ -26,7 +26,6 @@
 import scipy.interpolate
 import itertools
 
-import CADETMatch.cadet as cadet
 from cadet import H5
 from addict import Dict
 

diff --git a/CADETMatch/generate_graphs.py b/CADETMatch/generate_graphs.py
@@ -26,7 +26,7 @@
 import scipy.interpolate
 import itertools
 
-from CADETMatch.cadet import Cadet, H5
+from cadet import Cadet, H5
 from addict import Dict
 
 #parallelization

diff --git a/CADETMatch/grad.py b/CADETMatch/grad.py
@@ -16,7 +16,6 @@
 import subprocess
 import csv
 import time
-import CADETMatch.cadet as cadet
 import scoop
 import CADETMatch.cache as cache
 

diff --git a/CADETMatch/graph_spearman.py b/CADETMatch/graph_spearman.py
@@ -5,7 +5,7 @@
 from matplotlib import figure
 from matplotlib.backends.backend_agg import FigureCanvasAgg as FigureCanvas
 
-import CADETMatch.cadet as cache
+from CADETMatch.cache import cache
 
 from pathlib import Path
 import warnings

diff --git a/CADETMatch/jacobian.py b/CADETMatch/jacobian.py
@@ -1,5 +1,5 @@
 from scipy.optimize._numdiff import approx_derivative
-import CADETMatch.cadet as cadet
+from CADETMatch.cache import cache
 from pathlib import Path
 import CADETMatch.util as util
 import numpy

diff --git a/CADETMatch/kde_generator.py b/CADETMatch/kde_generator.py
@@ -9,7 +9,7 @@
 
 import itertools
 import CADETMatch.score as score
-from CADETMatch.cadet import Cadet, H5
+from cadet import Cadet, H5
 from pathlib import Path
 import numpy
 import scoop

diff --git a/CADETMatch/match.py b/CADETMatch/match.py
@@ -8,7 +8,7 @@
 import numpy
 import shutil
 import csv
-from CADETMatch.cadet import Cadet
+from cadet import Cadet
 from pathlib import Path
 
 from deap import creator

diff --git a/CADETMatch/mcmc_plot_tube.py b/CADETMatch/mcmc_plot_tube.py
@@ -7,7 +7,7 @@
 from scoop import futures
 import sys
 
-import CADETMatch.cadet as cadet
+import cadet
 import CADETMatch.util as util
 import CADETMatch.evo as evo
 import pandas

diff --git a/CADETMatch/mle.py b/CADETMatch/mle.py
@@ -7,7 +7,7 @@
 from scoop import futures
 import sys
 
-import CADETMatch.cadet as cadet
+import cadet
 import CADETMatch.util as util
 import CADETMatch.evo as evo
 import pandas

diff --git a/CADETMatch/search/mcmc.py b/CADETMatch/search/mcmc.py
@@ -6,7 +6,7 @@
 from pathlib import Path
 import time
 import csv
-import CADETMatch.cadet as cadet
+import cadet
 
 import emcee
 import SALib.sample.sobol_sequence

diff --git a/CADETMatch/util.py b/CADETMatch/util.py
@@ -11,7 +11,7 @@
 
 import tempfile
 import os
-from CADETMatch.cadet import Cadet, H5
+from cadet import Cadet, H5
 import subprocess
 import sys
 import json

diff --git a/setup.py b/setup.py
@@ -5,7 +5,7 @@
 
 setuptools.setup(
     name="CADETMatch",
-    version="0.2",
+    version="0.3",
     author="William Heymann",
     author_email="[email protected]",
     description="CADETMatch is a parameter estimation and error modeling library for CADET",
@@ -27,7 +27,8 @@
           'scipy',
           'matplotlib',
           'pandas',
-          'h5py'
+          'h5py',
+          'CADET'
       ],
     classifiers=[
         "Programming Language :: Python :: 3",