Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

lock sphinx version in CI due to problem with v3.2.0 #3332

Merged
merged 3 commits into from Aug 12, 2020
Merged

lock sphinx version in CI due to problem with v3.2.0 #3332

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
74278fb
lock sphinx version due to problem with 3.2.0
greglandrum Aug 12, 2020
8c76006
forgot one
greglandrum Aug 12, 2020
94d2b76
fix bad doc formatting
greglandrum Aug 12, 2020
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Jump to
Jump to file
Failed to load files.
Diff view
Diff view
2 changes: 1 addition & 1 deletion .azure-pipelines/linux_build.yml
View file
Open in desktop
Expand Up @@ -9,7 +9,7 @@ steps:
boost-cpp=$(boost_version) boost=$(boost_version) \
py-boost=$(boost_version) \
numpy matplotlib pillow eigen pandas \
sphinx recommonmark jupyter
sphinx=3.1.2 recommonmark jupyter
conda activate rdkit_build
conda install -c rdkit nox cairo=1.14.6
displayName: Setup build environment
Expand Down
2 changes: 1 addition & 1 deletion .azure-pipelines/linux_build_py37.yml
View file
Open in desktop
Expand Up @@ -9,7 +9,7 @@ steps:
boost-cpp=$(boost_version) boost=$(boost_version) \
py-boost=$(boost_version) libboost=$(boost_version) \
numpy matplotlib pillow eigen pandas \
sphinx recommonmark jupyter
sphinx=3.1.2 recommonmark jupyter
conda activate rdkit_build
conda install -c rdkit nox cairo=1.14.6
displayName: Setup build environment
Expand Down
2 changes: 1 addition & 1 deletion .azure-pipelines/mac_build.yml
View file
Open in desktop
Expand Up @@ -21,7 +21,7 @@ steps:
boost-cpp=$(boost_version) boost=$(boost_version) \
py-boost=$(boost_version) libboost=$(boost_version) \
numpy matplotlib cairo pillow eigen pandas \
sphinx recommonmark jupyter
sphinx=3.1.2 recommonmark jupyter
displayName: Setup build environment
- bash: |
source ${CONDA}/etc/profile.d/conda.sh
Expand Down
2 changes: 1 addition & 1 deletion .azure-pipelines/vs_build.yml
View file
Open in desktop
Expand Up @@ -8,7 +8,7 @@ steps:
boost-cpp=$(boost_version) boost=$(boost_version) ^
py-boost=$(boost_version) libboost=$(boost_version) ^
numpy matplotlib cairo pillow eigen pandas ^
sphinx recommonmark jupyter
sphinx=3.1.2 recommonmark jupyter
displayName: Install dependencies
- script: |
set Boost_ROOT=
Expand Down
50 changes: 25 additions & 25 deletions Docs/Book/RDKit_Book.rst
View file
Open in desktop
Expand Up @@ -357,34 +357,34 @@ Please ignore those characters.

**Atoms**

========= ========================================= =============== ====== =========
Primitive Property "Default value" Range? Notes
========= ========================================= =============== ====== =========
a "aromatic atom"
A "aliphatic atom"
d "non-hydrogen degree" 1 Y extension
D "explicit degree" 1 Y
h "number of implicit hs" >0 Y
H "total number of Hs" 1
r "size of smallest SSSR ring" >0 Y
R "number of SSSR rings" >0 Y
v "total valence" 1 Y
x "number of ring bonds" >0 Y
X "total degree" 1 Y
z "number of heteroatom neighbors" >0 Y extension
Z "number of aliphatic heteroatom neighbors" >0 Y extension
========= ========================================== =============== ====== =========
Primitive Property "Default value" Range? Notes
========= ========================================== =============== ====== =========
a "aromatic atom"
A "aliphatic atom"
d "non-hydrogen degree" 1 Y extension
D "explicit degree" 1 Y
h "number of implicit hs" >0 Y
H "total number of Hs" 1
r "size of smallest SSSR ring" >0 Y
R "number of SSSR rings" >0 Y
v "total valence" 1 Y
x "number of ring bonds" >0 Y
X "total degree" 1 Y
z "number of heteroatom neighbors" >0 Y extension
Z "number of aliphatic heteroatom neighbors" >0 Y extension
\* "any atom"
\+ "positive charge" 1 Y
\+ "positive charge" 1 Y
++ "+2 charge"
\- "negative charge" 1 Y
\- "negative charge" 1 Y
\-- "-2 charge"
^0 "S hybridized" n/a N extension
^1 "SP hybridized" n/a N extension
^2 "SP2 hybridized" n/a N extension
^3 "SP3 hybridized" n/a N extension
^4 "SP3D hybridized" n/a N extension
^5 "SP3D2 hybridized" n/a N extension
========= ========================================= =============== ====== =========
^0 "S hybridized" n/a N extension
^1 "SP hybridized" n/a N extension
^2 "SP2 hybridized" n/a N extension
^3 "SP3 hybridized" n/a N extension
^4 "SP3D hybridized" n/a N extension
^5 "SP3D2 hybridized" n/a N extension
========= ========================================== =============== ====== =========



Expand Down