schrodinger/maeparser issues and pull requests

#79 - Bump Azure CI Mac image to macos-11

Pull Request - State: closed - Opened by ricrogz about 1 year ago

#78 - Updated property name parsing procedure to allow colons

Pull Request - State: closed - Opened by whosayn almost 2 years ago

#77 - MaeParser can't parse property names with colons

Issue - State: closed - Opened by whosayn almost 2 years ago

#76 - modifications to get maeparser building with C++20

Pull Request - State: closed - Opened by greglandrum about 2 years ago - 1 comment

#75 - Added methods to get names of sub-blocks in mae::Block

Pull Request - State: closed - Opened by rachelnwalker over 2 years ago

#74 - Update CI builds

Pull Request - State: closed - Opened by ricrogz over 2 years ago - 2 comments

#73 - patch CMakeLists

Pull Request - State: closed - Opened by mefuller over 2 years ago - 4 comments

#72 - Added a command line installation section to the README.

Pull Request - State: closed - Opened by sbrozell almost 3 years ago - 3 comments

#71 - command line installation

Issue - State: closed - Opened by sbrozell almost 3 years ago - 4 comments

#70 - Run clang-tidy

Pull Request - State: closed - Opened by e-kwsm about 3 years ago - 1 comment

#69 - Bump Azure Ubuntu img to 18.04 LTS

Pull Request - State: closed - Opened by ricrogz over 3 years ago - 2 comments

#68 - Check whether there is a "next mol block"

Pull Request - State: closed - Opened by ricrogz over 3 years ago

#67 - Add package.json for github dependency display

Pull Request - State: closed - Opened by d-b-w over 3 years ago - 1 comment

#66 - Add visibility attribute to import declaration

Pull Request - State: closed - Opened by ricrogz almost 4 years ago

#65 - Make sure CMAKE_INSTALL_LIBDIR is defined for non-MSVC

Pull Request - State: closed - Opened by ricrogz about 4 years ago

#64 - Don't use hard-coded installation directories

Pull Request - State: closed - Opened by Peter-Levine over 4 years ago - 1 comment

#63 - Update CI pipelines

Pull Request - State: closed - Opened by ricrogz over 4 years ago - 3 comments

#62 - Avoid rvalue reference and move for compatibility (#61)

Pull Request - State: closed - Opened by e-kwsm over 4 years ago - 2 comments

#61 - Apply Clang tidy modernize & performance

Pull Request - State: closed - Opened by ricrogz over 4 years ago - 3 comments

#60 - Block::getIndexedBlock() should be const

Pull Request - State: closed - Opened by ricrogz over 4 years ago

#59 - Bump azure MacOS versions

Pull Request - State: closed - Opened by ricrogz over 4 years ago

#58 - Fix CMake command (add_compile_options)

Pull Request - State: closed - Opened by e-kwsm over 4 years ago - 1 comment

#57 - Allow static builds

Pull Request - State: closed - Opened by ricrogz almost 5 years ago - 1 comment

#56 - Hard-coded to build libmaeparser as SHARED

Issue - State: closed - Opened by e-kwsm about 5 years ago - 2 comments

#55 - Use a GLOB to find and install all headers

Pull Request - State: closed - Opened by ricrogz about 5 years ago

#54 - Make test path relative and allow to disable the test

Pull Request - State: closed - Opened by ricrogz about 5 years ago

#53 - Add yaml files for Azure pipelines CI

Pull Request - State: closed - Opened by ricrogz about 5 years ago

#52 - Properly export getProperty() methods

Pull Request - State: closed - Opened by ricrogz about 5 years ago - 7 comments

#51 - Allow access to mae::IndexedProperty internal data

Pull Request - State: closed - Opened by d-b-w about 5 years ago - 1 comment

#50 - Add constants for stereochemical properties prefixes and description of the format used

Pull Request - State: closed - Opened by ricrogz about 5 years ago - 1 comment

#49 - Provide eof() methods to check end of data

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 1 comment

#48 - Remove "sudo:false" and automated apt workaround

Pull Request - State: closed - Opened by ricrogz over 5 years ago

#47 - Update Travis CI builds

Pull Request - State: closed - Opened by ricrogz over 5 years ago

#46 - maeparser does not support numbers in property author names

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 1 comment

#45 - Added stream opening checks to Reader & Writer

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 3 comments

#44 - Refactoring of MaeBlock hpp & cpp

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 3 comments

#43 - Add getProperyNames() functions to Block and Indexed Block.

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 8 comments

#42 - MaeParser can't tell a non-existing file from an empty one.

Issue - State: closed - Opened by ricrogz over 5 years ago - 1 comment

#41 - MaeParser doesn't have a way of recovering property names.

Issue - State: closed - Opened by ricrogz over 5 years ago - 1 comment

#40 - Run memtest on Travis

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 2 comments

#39 - Refactor the Reader class

Pull Request - State: closed - Opened by ricrogz over 5 years ago

#38 - Reduce compiler warnings

Pull Request - State: closed - Opened by ricrogz over 5 years ago

#37 - Fix leaks and refactor Writer class

Pull Request - State: closed - Opened by ricrogz over 5 years ago

#36 - Have the tests run in the build directory

Pull Request - State: closed - Opened by ricrogz over 5 years ago - 5 comments

#35 - Add chemistry specific functions

Issue - State: open - Opened by lorton over 5 years ago

#34 - Use std::istream in the usage demo

Pull Request - State: open - Opened by d-b-w over 5 years ago

#33 - Fix compiler warnings

Pull Request - State: closed - Opened by ricrogz almost 6 years ago

#32 - Apply clang-format

Pull Request - State: closed - Opened by ricrogz almost 6 years ago - 1 comment

#31 - Remove unused drop_cache.c

Pull Request - State: closed - Opened by ricrogz almost 6 years ago

#30 - Enable test memcheck & relocatable tests.

Pull Request - State: closed - Opened by ricrogz about 6 years ago - 2 comments

#29 - Restore "ifstream&" interface

Pull Request - State: closed - Opened by ricrogz about 6 years ago - 4 comments

#28 - Add a Maestro format writer and appropriate tests

Pull Request - State: closed - Opened by lorton about 6 years ago - 2 comments

#27 - Change interface for indexed properties to return nullptr

Pull Request - State: closed - Opened by lorton about 6 years ago - 2 comments

#26 - Update README.md

Pull Request - State: closed - Opened by lorton about 6 years ago - 5 comments

#25 - Bump minimum version of cmake

Pull Request - State: closed - Opened by torcolvin about 6 years ago

#24 - README could possibly describe Maestro's advantages, Debian description review, RRID

Issue - State: closed - Opened by smoe about 6 years ago - 2 comments

#23 - SOVERSION+VERSION library properties

Pull Request - State: closed - Opened by smoe about 6 years ago - 1 comment

#22 - SOVERSION?

Issue - State: closed - Opened by smoe about 6 years ago - 3 comments

#21 - Add header constants

Pull Request - State: closed - Opened by lorton about 6 years ago - 2 comments

#20 - Re-enabled mem improvements, .maegz reading

Pull Request - State: closed - Opened by ricrogz over 6 years ago - 1 comment

#19 - Fix Buffer memory allocation error

Pull Request - State: closed - Opened by ricrogz over 6 years ago

#18 - Create mae / maegz writer

Issue - State: closed - Opened by lorton over 6 years ago - 1 comment

#17 - IndexedProperty::at(index, default)

Pull Request - State: closed - Opened by speleo3 over 6 years ago

#16 - Match quote stripping and escape stripping of mmct

Pull Request - State: closed - Opened by lorton over 6 years ago

#15 - Fixes for quoted strings with protected " and / characters #11

Pull Request - State: closed - Opened by lorton over 6 years ago - 7 comments

#14 - Add standard constant strings for CT parsing

Pull Request - State: closed - Opened by lorton over 6 years ago - 8 comments

#13 - non-raising IndexedBlocked::getStringProperty(name)

Issue - State: closed - Opened by speleo3 over 6 years ago - 1 comment

#12 - IndexedProperty::at() with default value

Issue - State: closed - Opened by speleo3 over 6 years ago - 2 comments

#11 - getStringProperty(...).at(...) returns quoted string

Issue - State: closed - Opened by speleo3 over 6 years ago

#10 - allow static builds on windows

Pull Request - State: closed - Opened by greglandrum over 6 years ago

#9 - Memory management improvements, additions to Reader interface

Pull Request - State: closed - Opened by lorton over 6 years ago - 2 comments

#8 - Bool properties can't be used

Issue - State: closed - Opened by lorton over 6 years ago

#7 - Fix for bool-use compilation bug

Pull Request - State: closed - Opened by lorton over 6 years ago - 1 comment

#6 - Add has*Property to Indexed Blocks

Pull Request - State: closed - Opened by lorton over 6 years ago

#5 - Add constants to maeparser headers

Issue - State: closed - Opened by lorton over 6 years ago

#4 - Address build warning messages found while building rdkit

Pull Request - State: closed - Opened by d-b-w over 6 years ago

#3 - enable debug in appveyor

Pull Request - State: closed - Opened by mbeachy almost 7 years ago - 1 comment

#2 - Export symbols for windows

Pull Request - State: closed - Opened by torcolvin about 7 years ago

#1 - Add test that demonstrates usage of the maeparser

Pull Request - State: closed - Opened by d-b-w over 7 years ago - 1 comment

GitHub / schrodinger/maeparser issues and pull requests