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refactoring of the BitVect interface to make capitalization consistent

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w/ the rest of the RDKit. i.e.: SetNumBits -> setNumBits
This commit is contained in:
Greg Landrum
2010-05-30 15:15:46 +00:00
parent 19a84f4f17
commit 20096c76a9
25 changed files with 322 additions and 322 deletions
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96
Code/DataStructs/testDatastructs.cpp
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@@ -1,6 +1,6 @@
// $Id$
//
// Copyright (C) 2001-2008 Greg Landrum and Rational Discovery LLC
// Copyright (C) 2001-2010 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
//
@@ -33,97 +33,97 @@ bool feq(double v1,double v2,double tol=1e-4){
template<typename T> void Test(T arg){
T t1(20);
TXTMSG("Set 10:",t1.SetBit(10));
TXTMSG("Set 11:",t1.SetBit(11));
TXTMSG("Set 14:",t1.SetBit(14));
TXTMSG("Set 10:",t1.SetBit(10));
TXTMSG("Get 14:",t1.GetBit(14));
TXTMSG("Num:",t1.GetNumBits());
TXTMSG("NumOn:",t1.GetNumOnBits());
TXTMSG("NumOff:",t1.GetNumOffBits());
TXTMSG("Set 10:",t1.setBit(10));
TXTMSG("Set 11:",t1.setBit(11));
TXTMSG("Set 14:",t1.setBit(14));
TXTMSG("Set 10:",t1.setBit(10));
TXTMSG("Get 14:",t1.getBit(14));
TXTMSG("Num:",t1.getNumBits());
TXTMSG("NumOn:",t1.getNumOnBits());
TXTMSG("NumOff:",t1.getNumOffBits());
TEST_ASSERT(t1==t1);
IntVect onBits;
t1.GetOnBits(onBits);
t1.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
T t2(t1);
//onBits = t2.GetOnBits();
//onBits = t2.getOnBits();
TXTMSG("t2[19]:",t2[19]);
TXTMSG("t2[14]:",t2[14]);
TEST_ASSERT(t2==t1);
t2 = t1;
//onBits = t2.GetOnBits();
//onBits = t2.getOnBits();
TXTMSG("t2[19]:",t2[19]);
t2.UnSetBit(14);
t2.unsetBit(14);
TXTMSG("t2[14]:",t2[14]);
t2.SetBit(15);
t2.SetBit(17);
t2.setBit(15);
t2.setBit(17);
TEST_ASSERT(t2!=t1);
std::cout << "t1: ";
t1.GetOnBits(onBits);
t1.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
std::cout << "t2: ";
t2.GetOnBits(onBits);
t2.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
std::cout << "t1|t2: ";
T t3=t1|t2;
t3.GetOnBits(onBits);
t3.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
std::cout << "t1&t2: ";
t3=t1 & t2;
t3.GetOnBits(onBits);
t3.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
std::cout << "t1^t2: ";
t3=t1 ^ t2;
t3.GetOnBits(onBits);
t3.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
std::cout << "~t1: ";
t3= ~t1;
t3.GetOnBits(onBits);
t3.getOnBits(onBits);
std::copy(onBits.begin(),onBits.end(),std::ostream_iterator<int>(std::cout,", "));
std::cout << std::endl;
try{
t3.GetBit(4000);
t3.getBit(4000);
} catch (IndexErrorException) {
std::cout << " except " << endl;
} catch (...) {
std::cout << " ERROR EXCEPT " << endl;
}
T t4(t1.ToString());
T t4(t1.toString());
TEST_ASSERT(t4==t1);
TEST_ASSERT(feq(TanimotoSimilarity(t1,t4),1.0));
T *t5 = FoldFingerprint(t1);
TEST_ASSERT(t5->GetNumBits() == t1.GetNumBits()/2);
TEST_ASSERT(t5->GetBit(0));
TEST_ASSERT(t5->GetBit(1));
TEST_ASSERT(t5->GetBit(4));
TEST_ASSERT(!t5->GetBit(2));
TEST_ASSERT(!t5->GetBit(3));
TEST_ASSERT(t5->getNumBits() == t1.getNumBits()/2);
TEST_ASSERT(t5->getBit(0));
TEST_ASSERT(t5->getBit(1));
TEST_ASSERT(t5->getBit(4));
TEST_ASSERT(!t5->getBit(2));
TEST_ASSERT(!t5->getBit(3));
delete t5;
std::string pkl=t1.ToString();
std::string pkl=t1.toString();
const char *pkl64=Base64Encode(pkl.c_str(),pkl.size());
T t6(t1.GetNumBits());
t6.InitFromText(pkl64,strlen(pkl64),true);
T t6(t1.getNumBits());
t6.initFromText(pkl64,strlen(pkl64),true);
delete [] pkl64;
TEST_ASSERT(t6==t1);
}
@@ -171,23 +171,23 @@ template<typename T> void ProbeTest(T &arg){
int sz=1000;
T t1(sz),t2(sz);
for(int i=0;i<sz;i+=2){
t1.SetBit(i);
if(i<3*sz/4) t2.SetBit(i);
t1.setBit(i);
if(i<3*sz/4) t2.setBit(i);
}
std::string pkl=t1.ToString();
std::string pkl=t1.toString();
TEST_ASSERT(AllProbeBitsMatch(t1,pkl));
TEST_ASSERT(AllProbeBitsMatch(t2,pkl));
TEST_ASSERT(AllProbeBitsMatch(t1.ToString(),pkl));
TEST_ASSERT(AllProbeBitsMatch(t2.ToString(),pkl));
TEST_ASSERT(AllProbeBitsMatch(t1.ToString().c_str(),pkl.c_str()));
TEST_ASSERT(AllProbeBitsMatch(t2.ToString().c_str(),pkl.c_str()));
pkl = t2.ToString();
TEST_ASSERT(AllProbeBitsMatch(t1.toString(),pkl));
TEST_ASSERT(AllProbeBitsMatch(t2.toString(),pkl));
TEST_ASSERT(AllProbeBitsMatch(t1.toString().c_str(),pkl.c_str()));
TEST_ASSERT(AllProbeBitsMatch(t2.toString().c_str(),pkl.c_str()));
pkl = t2.toString();
TEST_ASSERT(!AllProbeBitsMatch(t1,pkl));
TEST_ASSERT(AllProbeBitsMatch(t2,pkl));
TEST_ASSERT(!AllProbeBitsMatch(t1.ToString(),pkl));
TEST_ASSERT(AllProbeBitsMatch(t2.ToString(),pkl));
TEST_ASSERT(!AllProbeBitsMatch(t1.ToString().c_str(),pkl.c_str()));
TEST_ASSERT(AllProbeBitsMatch(t2.ToString().c_str(),pkl.c_str()));
TEST_ASSERT(!AllProbeBitsMatch(t1.toString(),pkl));
TEST_ASSERT(AllProbeBitsMatch(t2.toString(),pkl));
TEST_ASSERT(!AllProbeBitsMatch(t1.toString().c_str(),pkl.c_str()));
TEST_ASSERT(AllProbeBitsMatch(t2.toString().c_str(),pkl.c_str()));
}
@@ -948,9 +948,9 @@ void test8BitVectPickles() {
ExplicitBitVect bv(32);
for(int i=0;i<32;i+=2){
bv.SetBit(i);
bv.setBit(i);
}
std::string pkl=bv.ToString();
std::string pkl=bv.toString();
unsigned int sz=pkl.size();
outS<<sz;
outS<<pkl;
@@ -974,8 +974,8 @@ void test8BitVectPickles() {
delete [] buff;
ExplicitBitVect bv(pkl);
TEST_ASSERT(bv.GetNumBits()==32);
TEST_ASSERT(bv.GetNumOnBits()==16);
TEST_ASSERT(bv.getNumBits()==32);
TEST_ASSERT(bv.getNumOnBits()==16);
TEST_ASSERT(bv[0]);
TEST_ASSERT(!bv[1]);
}