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Use C++0x range for loop

for (auto &v : item_list) v++; Supported by GCC 4.6.1, but not by vc100 or WindowsSDK7.1

Id #618 | Release: None | Updated: Nov 30 at 12:07 PM by JackyLee | Created: Aug 2, 2011 at 3:26 AM by JackyLee

Use whole program optimization

Id #601 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Jun 25, 2011 at 11:47 PM by JackyLee

Use static linking

Id #600 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Jun 25, 2011 at 11:56 AM by JackyLee

Compile idock by Intel C++ compiler

Id #599 | Release: None | Updated: Nov 30 at 12:07 PM by JackyLee | Created: Jun 25, 2011 at 11:46 AM by JackyLee

For thread pool, use queue instead of vector. Define a function unique_future<T> submit(packaged_task<void>), and push back the returning future into a collecdtion.

See Chapter 9 Advanced Thread Management of "Manning.CPlusPlus.Concurrency.in.Action.Aug.2010.MEAP.pdf"

Id #586 | Release: None | Updated: Nov 30 at 12:07 PM by JackyLee | Created: Jun 1, 2011 at 3:38 PM by JackyLee

Avoid using namespace std in global scope, in either header or source files.

Id #545 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Apr 26, 2011 at 3:26 PM by JackyLee

Write move constructor and move assignment operator for result, so that ranking_cont.sort() in main.cpp is fast.

http://blogs.msdn.com/b/nativeconcurrency/archive/2011/03/14/the-concurrency-runtime-and-visual-c-2010-rvalue-references.aspx http://blogs.msdn.com/b/nativeconcurrency/archive/2011/01/15/sorting-in...

Id #544 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Apr 26, 2011 at 1:23 PM by JackyLee

Use Rvalues to replace Lvalues, especially for vector<T>.push_back()

http://blogs.msdn.com/b/nativeconcurrency/archive/2011/03/14/the-concurrency-runtime-and-visual-c-2010-rvalue-references.aspx

Id #543 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Apr 26, 2011 at 1:09 PM by JackyLee

Create a generic precalculation class. Rename precalculation to scoring function. Move CUTOFF and FACTOR from common.h to scoring function class.

Id #525 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Apr 16, 2011 at 3:03 PM by JackyLee

Add try/catch block to directory iterations so that virtual screening can continue in case of parsing errors of a single ligand.

Id #517 | Release: None | Updated: Jun 11, 2013 at 1:40 AM by JackyLee | Created: Apr 11, 2011 at 3:04 PM by JackyLee