Download:
cd /opt
wget https://github.com/rdkit/rdkit/archive/Release_2015_09_2.tar.gz
tar -xvf Release_2015_09_2.tar.gz
mv rdkit-Release_2015_09_2 rdkit_2015_09_2
Setup environment:
cd /opt/rdkit_2015_09_2
-- Parse booking confirmation emails from Cinema and add Calendar event | |
-- Author: Matt Swain <m.swain@me.com>, Version 1.0, License: MIT | |
-- Triggered by Mail rule. | |
using terms from application "Mail" | |
on perform mail action with messages msgs for rule theRule | |
tell application "Mail" | |
repeat with msg in msgs | |
try | |
set msgcontent to content of msg |
#!/usr/bin/env python | |
# -*- coding: utf-8 -*- | |
"""Download all UV-Vis spectra available from NIST Chemistry Webbook.""" | |
import os | |
import re | |
import requests | |
from bs4 import BeautifulSoup | |
diff --git a/INCHI_API/gcc_so_makefile/libinchi.map b/INCHI_API/gcc_so_makefile/libinchi.map | |
index 0526992..0f768c8 100755 | |
--- a/INCHI_API/gcc_so_makefile/libinchi.map | |
+++ b/INCHI_API/gcc_so_makefile/libinchi.map | |
@@ -1,5 +1,32 @@ | |
-{ | |
-global: CheckINCHI; CheckINCHIKey; FreeINCHI; FreeStdINCHI; FreeStructFromINCHI; FreeStructFromStdINCHI; Free_inchi_Input; Free_std_inchi_Input; GetINCHI; GetINCHIKeyFromINCHI; GetINCHIfromINCHI; GetStdINCHI; GetStdINCHIKeyFromStdINCHI; GetStringLength; GetStructFromINCHI; GetStructFromStdINCHI; Get_inchi_Input_FromAuxInfo; Get_std_inchi_Input_FromAuxInfo; INCHIGEN_Create; INCHIGEN_Destroy; INCHIGEN_DoCanonicalization; INCHIGEN_DoNormalization; INCHIGEN_DoSerialization; INCHIGEN_Reset; INCHIGEN_Setup; STDINCHIGEN_Create; STDINCHIGEN_Destroy; STDINCHIGEN_DoCanonicalization; STDINCHIGEN_DoNormalization; STDINCHIGEN_DoSerialization; STDINCHIGEN_Reset; STDINCHIGEN_Setup; | |
-local: *; | |
-}; | |
- |
#!/usr/bin/env python | |
# -*- coding: utf-8 -*- | |
import copy | |
from itertools import tee, izip | |
import logging | |
from rdkit import Chem | |
from rdkit.Chem.rdchem import BondType, BondStereo, BondDir | |
__author__ = 'Matt Swain' |
#!/usr/bin/env python | |
# -*- coding: utf-8 -*- | |
""" Save versioned backups of collections in MongoDB. Quick and dirty. """ | |
import datetime | |
import shutil | |
import os | |
import subprocess | |
import zipfile |
diff --git a/src/osra_lib.cpp b/src/osra_lib.cpp | |
index 4262e83..48979ae 100644 | |
--- a/src/osra_lib.cpp | |
+++ b/src/osra_lib.cpp | |
@@ -635,7 +635,7 @@ int osra_process_image( | |
if (type.empty() || type == "PDF" || type == "PS") | |
{ | |
#ifdef OSRA_LIB | |
- poppler_doc = load_from_raw_data(image_data, image_length); | |
+ poppler_doc = poppler::document::load_from_raw_data(image_data, image_length); |
/********************************************************************** | |
Copyright (c) 2013 by Matt Swain <m.swain@me.com> | |
The MIT License | |
Permission is hereby granted, free of charge, to any person obtaining a copy | |
of this software and associated documentation files (the "Software"), to deal | |
in the Software without restriction, including without limitation the rights | |
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell | |
copies of the Software, and to permit persons to whom the Software is |
diff --git a/boost/python/object/class_metadata.hpp b/boost/python/object/class_metadata.hpp | |
index c71cf67..5009c17 100644 | |
--- a/boost/python/object/class_metadata.hpp | |
+++ b/boost/python/object/class_metadata.hpp | |
@@ -164,7 +164,7 @@ struct class_metadata | |
>::type held_type; | |
// Determine if the object will be held by value | |
- typedef is_convertible<held_type*,T*> use_value_holder; | |
+ typedef mpl::bool_<is_convertible<held_type*,T*>::value> use_value_holder; |
diff --git a/src/osra_grayscale.cpp b/src/osra_grayscale.cpp | |
index 32816ed..1b819d1 100644 | |
--- a/src/osra_grayscale.cpp | |
+++ b/src/osra_grayscale.cpp | |
@@ -266,12 +266,12 @@ bool convert_to_gray(Image &image, bool invert, bool adaptive, bool verbose) | |
image.despeckle(); | |
if (invert) | |
{ | |
- image.adaptiveThreshold(window,window,7); | |
+ image.adaptiveThreshold(window,window,7.0); |
Download:
cd /opt
wget https://github.com/rdkit/rdkit/archive/Release_2015_09_2.tar.gz
tar -xvf Release_2015_09_2.tar.gz
mv rdkit-Release_2015_09_2 rdkit_2015_09_2
Setup environment:
cd /opt/rdkit_2015_09_2