werkend, maar niet threaded

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@308 a1961a4f-ab94-4bcc-80e8-33b5a54de466

include/cif++/BondMap.h

@@ -22,7 +22,13 @@ class BondMap
 		return isBonded(index.at(a.id()), index.at(b.id()));
 		return isBonded(index.at(a.id()), index.at(b.id()));
 	}
 	}
 
 
+	bool operator()(const std::string& id_a, const std::string& id_b) const
+	{
+		return isBonded(index.at(id_a), index.at(id_b));
+	}
+
 	bool is1_4(const Atom& a, const Atom& b) const;
 	bool is1_4(const Atom& a, const Atom& b) const;
+	bool is1_4(const std::string& id_a, const std::string& id_b) const;
 	
 	
   private:
   private:
 
 

include/cif++/DistanceMap.h

@@ -25,7 +25,9 @@ class DistanceMap
 	DistanceMap& operator=(const DistanceMap&) = delete;
 	DistanceMap& operator=(const DistanceMap&) = delete;
 
 
 	float operator()(const Atom& a, const Atom& b) const;
 	float operator()(const Atom& a, const Atom& b) const;
+
 	std::vector<Atom> near(const Atom& a, float maxDistance = 3.5f) const;
 	std::vector<Atom> near(const Atom& a, float maxDistance = 3.5f) const;
+	std::vector<Atom> near(const Point& p, float maxDistance = 3.5f) const;
 
 
   private:
   private:
 
 

src/CifUtils.cpp

@@ -415,6 +415,8 @@ struct ProgressImpl
 
 
 	int64			mMax;
 	int64			mMax;
 	atomic<int64>	mConsumed;
 	atomic<int64>	mConsumed;
+	int64			mLastConsumed = 0;
+	int				mSpinnerIndex = 0;
 	string			mAction, mMessage;
 	string			mAction, mMessage;
 	boost::mutex	mMutex;
 	boost::mutex	mMutex;
 	boost::thread	mThread;
 	boost::thread	mThread;
@@ -428,10 +430,10 @@ void ProgressImpl::Run()
 	
 	
 	try
 	try
 	{
 	{
+		boost::this_thread::sleep(boost::posix_time::seconds(5));
+			
 		for (;;)
 		for (;;)
 		{
 		{
-			boost::this_thread::sleep(boost::posix_time::seconds(5));
-			
 			boost::mutex::scoped_lock lock(mMutex);
 			boost::mutex::scoped_lock lock(mMutex);
 			
 			
 			if (mConsumed == mMax)
 			if (mConsumed == mMax)
@@ -439,6 +441,8 @@ void ProgressImpl::Run()
 			
 			
 			PrintProgress();
 			PrintProgress();
 			printedAny = true;
 			printedAny = true;
+
+			boost::this_thread::sleep(boost::posix_time::seconds(0.5));
 		}
 		}
 	}
 	}
 	catch (...) {}
 	catch (...) {}
@@ -488,7 +492,8 @@ void ProgressImpl::PrintProgress()
 	
 	
 	msg += " |";
 	msg += " |";
 	
 	
-	float progress = static_cast<float>(mConsumed) / mMax;
+	int64 consumed = mConsumed;
+	float progress = static_cast<float>(consumed) / mMax;
 	int pi = static_cast<int>(ceil(progress * 33 * 8));
 	int pi = static_cast<int>(ceil(progress * 33 * 8));
 //	int tw = width - 28;
 //	int tw = width - 28;
 //	int twd = static_cast<int>(tw * progress + 0.5f);
 //	int twd = static_cast<int>(tw * progress + 0.5f);
@@ -507,14 +512,27 @@ void ProgressImpl::PrintProgress()
 	}
 	}
 
 
 	msg.append("| ");
 	msg.append("| ");
+
+//	const char		kSpinner[] = { '|', '/', '-', '\\' };
+	const char		kSpinner[] = { ' ', '.', 'o', 'O', '0', 'O', 'o', '.' };
+	const size_t	kSpinnerCount = sizeof(kSpinner);
+
+	if (mLastConsumed < consumed)
+	{
+		mLastConsumed = consumed;
+		mSpinnerIndex = (mSpinnerIndex + 1) % kSpinnerCount;
+	}
 	
 	
-	int perc = static_cast<int>(100 * progress);
-	if (perc < 100)
-		msg += ' ';
-	if (perc < 10)
-		msg += ' ';
-	msg += to_string(perc);
-	msg += '%';
+	const char spinner[2] = { kSpinner[mSpinnerIndex], 0 };
+	msg.append(spinner);
+
+//	int perc = static_cast<int>(100 * progress);
+//	if (perc < 100)
+//		msg += ' ';
+//	if (perc < 10)
+//		msg += ' ';
+//	msg += to_string(perc);
+//	msg += '%';
 	
 	
 	cout << '\r' << msg;
 	cout << '\r' << msg;
 	cout.flush();
 	cout.flush();

src/DistanceMap.cpp

@@ -262,6 +262,7 @@ float DistanceMap::operator()(const Atom& a, const Atom& b) const
 	return result;
 	return result;
 }
 }
 
 
+#warning("this method should return symmetry reoriented atoms...")
 vector<Atom> DistanceMap::near(const Atom& a, float maxDistance) const
 vector<Atom> DistanceMap::near(const Atom& a, float maxDistance) const
 {
 {
 	vector<Atom> result;
 	vector<Atom> result;