Merge branch 'dev'

TRI-AMDD · May 20, 2020 · d675ce2 · d675ce2
2 parents bf7e44f + 83f29c2
commit d675ce2
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Showing 5 changed files with 103 additions and 101 deletions.
diff --git a/CHANGES.md b/CHANGES.md
@@ -1,5 +1,10 @@
 
 
+v2020.5.19
+----------
+* Streamlining of APIs of Agents, Campaigns, Analyzers
+* Added meta-agent functionality
+
 v2020.3.23
 ----------
 * bugfixes related to worker and analysis

diff --git a/camd/agent/generic.py b/camd/agent/generic.py
@@ -10,7 +10,8 @@
 
 class GenericGPUCB(HypothesisAgent):
     """
-    Generic Gaussian Process (GP) and upper confidence bound (UCB) based agent that tries to maximize a target that can
+    Generic Gaussian Process (GP) and upper confidence bound (UCB)
+    based agent that tries to maximize a target that can
     be used in a batch-mode Bayesian Optimization setting.
     """
 

diff --git a/camd/analysis.py b/camd/analysis.py
@@ -22,103 +22,12 @@
 )
 from pymatgen.analysis.structure_matcher import StructureMatcher
 from pymatgen import Structure
-from camd.utils.data import cache_matrio_data, filter_dataframe_by_composition
+from camd.utils.data import cache_matrio_data, \
+    filter_dataframe_by_composition, ELEMENTS
 from camd import CAMD_CACHE
 from monty.os import cd
 from monty.serialization import loadfn
 
-ELEMENTS = [
-    "Ru",
-    "Re",
-    "Rb",
-    "Rh",
-    "Be",
-    "Ba",
-    "Bi",
-    "Br",
-    "H",
-    "P",
-    "Os",
-    "Ge",
-    "Gd",
-    "Ga",
-    "Pr",
-    "Pt",
-    "Pu",
-    "C",
-    "Pb",
-    "Pa",
-    "Pd",
-    "Xe",
-    "Pm",
-    "Ho",
-    "Hf",
-    "Hg",
-    "He",
-    "Mg",
-    "K",
-    "Mn",
-    "O",
-    "S",
-    "W",
-    "Zn",
-    "Eu",
-    "Zr",
-    "Er",
-    "Ni",
-    "Na",
-    "Nb",
-    "Nd",
-    "Ne",
-    "Np",
-    "Fe",
-    "B",
-    "F",
-    "Sr",
-    "N",
-    "Kr",
-    "Si",
-    "Sn",
-    "Sm",
-    "V",
-    "Sc",
-    "Sb",
-    "Se",
-    "Co",
-    "Cl",
-    "Ca",
-    "Ce",
-    "Cd",
-    "Tm",
-    "Cs",
-    "Cr",
-    "Cu",
-    "La",
-    "Li",
-    "Tl",
-    "Lu",
-    "Th",
-    "Ti",
-    "Te",
-    "Tb",
-    "Tc",
-    "Ta",
-    "Yb",
-    "Dy",
-    "I",
-    "U",
-    "Y",
-    "Ac",
-    "Ag",
-    "Ir",
-    "Al",
-    "As",
-    "Ar",
-    "Au",
-    "In",
-    "Mo",
-]
-
 
 class AnalyzerBase(abc.ABC):
     def __init__(self):

diff --git a/camd/utils/data.py b/camd/utils/data.py
@@ -204,6 +204,98 @@ def get_oqmd_data_by_chemsys(chemsys, drop_duplicates=True):
     u'V': 2.67812162528461
 }
 
+ELEMENTS = [
+    "Ru",
+    "Re",
+    "Rb",
+    "Rh",
+    "Be",
+    "Ba",
+    "Bi",
+    "Br",
+    "H",
+    "P",
+    "Os",
+    "Ge",
+    "Gd",
+    "Ga",
+    "Pr",
+    "Pt",
+    "Pu",
+    "C",
+    "Pb",
+    "Pa",
+    "Pd",
+    "Xe",
+    "Pm",
+    "Ho",
+    "Hf",
+    "Hg",
+    "He",
+    "Mg",
+    "K",
+    "Mn",
+    "O",
+    "S",
+    "W",
+    "Zn",
+    "Eu",
+    "Zr",
+    "Er",
+    "Ni",
+    "Na",
+    "Nb",
+    "Nd",
+    "Ne",
+    "Np",
+    "Fe",
+    "B",
+    "F",
+    "Sr",
+    "N",
+    "Kr",
+    "Si",
+    "Sn",
+    "Sm",
+    "V",
+    "Sc",
+    "Sb",
+    "Se",
+    "Co",
+    "Cl",
+    "Ca",
+    "Ce",
+    "Cd",
+    "Tm",
+    "Cs",
+    "Cr",
+    "Cu",
+    "La",
+    "Li",
+    "Tl",
+    "Lu",
+    "Th",
+    "Ti",
+    "Te",
+    "Tb",
+    "Tc",
+    "Ta",
+    "Yb",
+    "Dy",
+    "I",
+    "U",
+    "Y",
+    "Ac",
+    "Ag",
+    "Ir",
+    "Al",
+    "As",
+    "Ar",
+    "Au",
+    "In",
+    "Mo",
+]
+
 
 def cache_download(url, path):
     """

diff --git a/tasks.py b/tasks.py
@@ -51,7 +51,7 @@ def set_ver(ctx):
 
 
 @task
-def merge_stable(ctx):
+def tag_release(ctx):
     """
     Tag and merge into stable branch.
 
@@ -60,11 +60,6 @@ def merge_stable(ctx):
     ctx.run("git commit -a -m \"v%s release\"" % (NEW_VER, ), warn=True)
     ctx.run("git tag -a v%s -m \"v%s release\"" % (NEW_VER, NEW_VER))
     ctx.run("git push --tags")
-    ctx.run("git checkout stable")
-    ctx.run("git pull")
-    ctx.run("git merge master")
-    ctx.run("git push")
-    ctx.run("git checkout master")
 
 
 @task
@@ -131,5 +126,5 @@ def release(ctx, notest=False, nover=False):
     if not notest:
         ctx.run("pytest camd")
     publish(ctx)
-    merge_stable(ctx)
+    tag_release(ctx)
     release_github(ctx)