schrodinger maeparser issues

schrodinger / maeparser

maestro file parser

MIT License

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issues

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Bump Azure CI Mac image to macos-11

#79 ricrogz closed 1 month ago
0
Updated property name parsing procedure to allow colons

#78 whosayn closed 1 year ago
0
MaeParser can't parse property names with colons

#77 whosayn closed 1 year ago
0
modifications to get maeparser building with C++20

#76 greglandrum closed 1 year ago
1
Added methods to get names of sub-blocks in mae::Block

#75 rachelnwalker closed 2 years ago
0
Update CI builds

#74 ricrogz closed 2 years ago
2
patch CMakeLists

#73 mefuller closed 2 years ago
4
Added a command line installation section to the README.

#72 sbrozell closed 2 years ago
3
command line installation

#71 sbrozell closed 2 years ago
4
Run clang-tidy

#70 e-kwsm closed 3 years ago
1
Bump Azure Ubuntu img to 18.04 LTS

#69 ricrogz closed 3 years ago
2
Check whether there is a "next mol block"

#68 ricrogz closed 10 months ago
0
Add package.json for github dependency display

#67 d-b-w closed 3 years ago
1
Add visibility attribute to import declaration

#66 ricrogz closed 3 years ago
0
Make sure CMAKE_INSTALL_LIBDIR is defined for non-MSVC

#65 ricrogz closed 4 years ago
0
Don't use hard-coded installation directories

#64 Peter-Levine closed 4 years ago
1
Update CI pipelines

#63 ricrogz closed 4 years ago
3
Avoid rvalue reference and move for compatibility (#61)

#62 e-kwsm closed 4 years ago
2
Apply Clang tidy modernize & performance

#61 ricrogz closed 4 years ago
3
Block::getIndexedBlock() should be const

#60 ricrogz closed 4 years ago
0
Bump azure MacOS versions

#59 ricrogz closed 4 years ago
0
Fix CMake command (add_compile_options)

#58 e-kwsm closed 4 years ago
1
Allow static builds

#57 ricrogz closed 4 years ago
1
Hard-coded to build libmaeparser as SHARED

#56 e-kwsm closed 4 years ago
2
Use a GLOB to find and install all headers

#55 ricrogz closed 5 years ago
0
Make test path relative and allow to disable the test

#54 ricrogz closed 5 years ago
0
Add yaml files for Azure pipelines CI

#53 ricrogz closed 5 years ago
0
Properly export getProperty() methods

#52 ricrogz closed 5 years ago
7
Allow access to mae::IndexedProperty internal data

#51 d-b-w closed 5 years ago
1
Add constants for stereochemical properties prefixes and description of the format used

#50 ricrogz closed 5 years ago
1
Provide eof() methods to check end of data

#49 ricrogz closed 5 years ago
1
Remove "sudo:false" and automated apt workaround

#48 ricrogz closed 5 years ago
0
Update Travis CI builds

#47 ricrogz closed 5 years ago
0
maeparser does not support numbers in property author names

#46 ricrogz closed 5 years ago
1
Added stream opening checks to Reader & Writer

#45 ricrogz closed 5 years ago
3
Refactoring of MaeBlock hpp & cpp

#44 ricrogz closed 5 years ago
3
Add getProperyNames() functions to Block and Indexed Block.

#43 ricrogz closed 5 years ago
8
MaeParser can't tell a non-existing file from an empty one.

#42 ricrogz closed 5 years ago
1
MaeParser doesn't have a way of recovering property names.

#41 ricrogz closed 5 years ago
1
Run memtest on Travis

#40 ricrogz closed 5 years ago
2
Refactor the Reader class

#39 ricrogz closed 5 years ago
0
Reduce compiler warnings

#38 ricrogz closed 5 years ago
0
Fix leaks and refactor Writer class

#37 ricrogz closed 5 years ago
0
Have the tests run in the build directory

#36 ricrogz closed 5 years ago
5
Add chemistry specific functions

#35 lorton opened 5 years ago
0
Use std::istream in the usage demo

#34 d-b-w opened 5 years ago
0
Fix compiler warnings

#33 ricrogz closed 5 years ago
0
Apply clang-format

#32 ricrogz closed 5 years ago
1
Remove unused drop_cache.c

#31 ricrogz closed 5 years ago
0
Enable test memcheck & relocatable tests.

#30 ricrogz closed 5 years ago
2