/// \brief TODOCUMENT
inline single_struc_res_pair_vec build_single_rep_pairs(const protein &arg_protein ///< TODOCUMENT
) {
const auto num_residues = debug_unwarned_numeric_cast<index_type>( arg_protein.get_length() );
const auto scan_phi_angles = make_scan_phi_angles ( arg_protein );
const auto scan_psi_angles = make_scan_psi_angles ( arg_protein );
const auto scan_view_coords = make_scan_view_coords ( arg_protein );
const auto scan_frames = make_scan_frame_quat_rots( arg_protein );
single_struc_res_pair_vec results;
results.reserve( num_residues * num_residues );
const auto all_residues_range = boost::irange<index_type>( 0, num_residues );
for (const auto &x : common::cross( all_residues_range, all_residues_range ) ) {
const auto &from_res_index = std::get<0>( x );
const auto &to_res_index = std::get<1>( x );
results.emplace_back(
rotate_copy(
scan_frames [ from_res_index ],
scan_view_coords[ to_res_index ] - scan_view_coords[ from_res_index ]
),
rotation_between_rotations(
scan_frames[ from_res_index ],
scan_frames[ to_res_index ]
),
scan_phi_angles[ from_res_index ],
scan_psi_angles[ from_res_index ],
scan_phi_angles[ to_res_index ],
scan_psi_angles[ to_res_index ],
from_res_index,
to_res_index
);
}
return results;
}
void pure_numeric_algo(){
cout<<endl<<"pure_numeric_algo :"<<endl;
int ia[11] = {0, 1, 2, 3, 4, 5, 6,6,6, 7, 8 };
vector<int> iv(ia,ia+11); vector<int> iv2(ia+6,ia+8); vector<int>::iterator itr;
itr = adjacent_find(iv.begin(),iv.end(), equal_to<int>()); //找到相邻元素相等的第一个元素
cout<<"adjacent_find: "<<*itr<<endl;
cout<<"count: "<<count(iv.begin(),iv.end(), 6)<<endl; //找到元素值等于6的个数
cout<<"count_if: "<<count_if(iv.begin(),iv.end(), bind2nd(less<int>() , 7))<<endl; //找到小于7的元素个数
itr = find(iv.begin(),iv.end(), 4); //找到元素等于4的第一个元素位置
cout<<"find: "<<*itr<<endl;
itr = find_if(iv.begin(),iv.end(), bind2nd(greater<int>() , 2)); //找到元素大于2的第一个元素位置
cout<<"find_if: "<<*itr<<endl;
itr = find_end(iv.begin(),iv.end(), iv2.begin(),iv2.end()); //找到iv序列中最后子序列匹配出现的位置
cout<<"find_end: "<<*(itr+3)<<endl;
itr = find_first_of(iv.begin(),iv.end(), iv2.begin(),iv2.end()); //找到iv序列中最先子序列匹配出现的位置
cout<<"find_end: "<<*(itr+3)<<endl;
remove(iv.begin(),iv.end(), 6); //删除元素，向前移，但是容器size不变，后面会剩余数据
cout<<"remove: "<<iv<<endl;
vector<int> iv3(12,-1);
remove_copy(iv.begin(),iv.end(), iv3.begin(), 6); //删除元素，将数据拷贝到新容器，后面会剩余数据
cout<<"remove_copy: "<<iv3<<endl;
remove_if(iv.begin(),iv.end(), bind2nd(less<int>(), 6)); //删除小于6的元素，后面会剩余数据
cout<<"remove_if: "<<iv<<endl;
remove_copy_if(iv.begin(),iv.end(), iv3.begin(), bind2nd(less<int>(), 7)); //删除小于7的元素，并拷贝到新容器
cout<<"remove_copy_if: "<<iv3<<endl;
replace(iv.begin(),iv.end(), 6, 3); //将所有元素值为6的改为3
cout<<"replace: "<<iv<<endl;
replace_copy(iv.begin(),iv.end(),iv3.begin(), 3, 5); //将所有元素值为3的改为5，结果保存在新容器中
cout<<"replace_copy: "<<iv3<<endl;
replace_if(iv.begin(),iv.end(), bind2nd(less<int>(),5), 2); //将所有元素值小于5的改为2
cout<<"replace_if: "<<iv<<endl;
replace_copy_if(iv.begin(),iv.end(),iv3.begin(), bind2nd(equal_to<int>(),8), 9); //将所有元素值为8的改为9，结果保存在新容器中
cout<<"replace_copy_if: "<<iv3<<endl;
reverse(iv.begin(),iv.end()); cout<<"reverse: "<<iv<<endl; //反转
reverse_copy(iv.begin(),iv.end(),iv3.begin()); cout<<"reverse_copy: "<<iv3<<endl; //反转，结果保存在新容器
rotate(iv.begin(),iv.begin() + 4, iv.end()); cout<<"rotate: "<<iv<<endl; //互换元素
rotate_copy(iv.begin(),iv.begin() + 5,iv.end(),iv3.begin()); cout<<"rotate_copy: "<<iv3<<endl; //互换元素，结果保存在新容器
int ia2[] = {2, 8}; vector<int> iv4(ia2,ia2+2);
cout<<"search: "<<*search(iv.begin(),iv.end(),iv4.begin(),iv4.end())<<endl; //查找子序列出现的第一次出现地点
swap_ranges(iv4.begin(),iv4.end(),iv.begin()); //按区域交换
cout<<"swap_ranges: "<<iv<<endl<<iv4<<endl;
transform(iv.begin(),iv.end(),iv.begin(),bind2nd(minus<int>(), 2)); //所有元素减2
cout<<"transform: "<<iv<<endl;
transform(iv4.begin(),iv4.end(),iv.begin(),iv4.begin(),plus<int>()); //区间对应元素相加
cout<<"transform: "<<iv4<<endl;
/************************************************************************/
vector<int> iv5(ia,ia+11); vector<int> iv6(ia+4,ia+8); vector<int> iv7(15);
cout<<"max_element: "<<*max_element(iv5.begin(), iv5.end())<<endl; //最大元素游标
cout<<"min_element: "<<*min_element(iv5.begin(), iv5.end())<<endl;
cout<<"includes: "<<includes(iv5.begin(),iv5.end(),iv6.begin(),iv6.end())<<endl; //iv6中元素是不是都在iv5中，这两个必须排过序
merge(iv5.begin(),iv5.end(),iv6.begin(),iv6.end(),iv7.begin()); //两个排序号的容器合并
cout<<"merge: "<<iv7<<endl;
partition(iv7.begin(),iv7.end(),bind2nd(equal_to<int>(), 5)); //满足条件的放在左边，不满足条件的放在右边
cout<<"partition: "<<iv7<<endl;
unique(iv5.begin(),iv5.end()); //去重，重复的元素放在后面
cout<<"unique: "<<iv5<<endl;
unique_copy(iv5.begin(),iv5.end(),iv7.begin()); //去重，结果保存在新容器
cout<<"unique_copy: "<<iv7<<endl;
}
typename util::detail::algorithm_result<
ExPolicy,
hpx::util::tagged_pair<
tag::in(typename traits::range_iterator<Rng>::type),
tag::out(OutIter)
>
>::type
rotate_copy(ExPolicy && policy, Rng && rng,
typename traits::range_iterator<Rng>::type middle, OutIter dest_first)
{
return rotate_copy(std::forward<ExPolicy>(policy),
boost::begin(rng), middle, boost::end(rng), dest_first);
}
static void TestAlgorithms (void)
{
static const int c_TestNumbers[] = { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 10, 11, 12, 13, 13, 14, 15, 16, 17, 18 };
const int* first = c_TestNumbers;
const int* last = first + VectorSize(c_TestNumbers);
intvec_t v, buf;
v.assign (first, last);
PrintVector (v);
cout << "swap(1,2)\n";
swap (v[0], v[1]);
PrintVector (v);
v.assign (first, last);
cout << "copy(0,8,9)\n";
copy (v.begin(), v.begin() + 8, v.begin() + 9);
PrintVector (v);
v.assign (first, last);
cout << "copy with back_inserter\n";
v.clear();
copy (first, last, back_inserter(v));
PrintVector (v);
v.assign (first, last);
cout << "copy with inserter\n";
v.clear();
copy (first, first + 5, inserter(v, v.begin()));
copy (first, first + 5, inserter(v, v.begin() + 3));
PrintVector (v);
v.assign (first, last);
cout << "copy_n(0,8,9)\n";
copy_n (v.begin(), 8, v.begin() + 9);
PrintVector (v);
v.assign (first, last);
cout << "copy_if(is_even)\n";
intvec_t v_even;
copy_if (v, back_inserter(v_even), &is_even);
PrintVector (v_even);
v.assign (first, last);
cout << "for_each(printint)\n{ ";
for_each (v, &printint);
cout << "}\n";
cout << "for_each(reverse_iterator, printint)\n{ ";
for_each (v.rbegin(), v.rend(), &printint);
cout << "}\n";
cout << "find(10)\n";
cout.format ("10 found at offset %zd\n", abs_distance (v.begin(), find (v, 10)));
cout << "count(13)\n";
cout.format ("%zu values of 13, %zu values of 18\n", count(v,13), count(v,18));
cout << "transform(sqr)\n";
transform (v, &sqr);
PrintVector (v);
v.assign (first, last);
cout << "replace(13,666)\n";
replace (v, 13, 666);
PrintVector (v);
v.assign (first, last);
cout << "fill(13)\n";
fill (v, 13);
PrintVector (v);
v.assign (first, last);
cout << "fill_n(5, 13)\n";
fill_n (v.begin(), 5, 13);
PrintVector (v);
v.assign (first, last);
cout << "fill 64083 uint8_t(0x41) ";
TestBigFill<uint8_t> (64083, 0x41);
cout << "fill 64083 uint16_t(0x4142) ";
TestBigFill<uint16_t> (64083, 0x4142);
cout << "fill 64083 uint32_t(0x41424344) ";
TestBigFill<uint32_t> (64083, 0x41424344);
cout << "fill 64083 float(0.4242) ";
TestBigFill<float> (64083, 0x4242f);
#if HAVE_INT64_T
cout << "fill 64083 uint64_t(0x4142434445464748) ";
TestBigFill<uint64_t> (64083, UINT64_C(0x4142434445464748));
#else
cout << "No 64bit types available on this platform\n";
#endif
cout << "copy 64083 uint8_t(0x41) ";
TestBigCopy<uint8_t> (64083, 0x41);
cout << "copy 64083 uint16_t(0x4142) ";
TestBigCopy<uint16_t> (64083, 0x4142);
cout << "copy 64083 uint32_t(0x41424344) ";
TestBigCopy<uint32_t> (64083, 0x41424344);
cout << "copy 64083 float(0.4242) ";
TestBigCopy<float> (64083, 0.4242f);
#if HAVE_INT64_T
cout << "copy 64083 uint64_t(0x4142434445464748) ";
TestBigCopy<uint64_t> (64083, UINT64_C(0x4142434445464748));
#else
cout << "No 64bit types available on this platform\n";
#endif
cout << "generate(genint)\n";
generate (v, &genint);
PrintVector (v);
v.assign (first, last);
cout << "rotate(4)\n";
rotate (v, 7);
rotate (v, -3);
PrintVector (v);
v.assign (first, last);
cout << "merge with (3,5,10,11,11,14)\n";
const int c_MergeWith[] = { 3,5,10,11,11,14 };
intvec_t vmerged;
merge (v.begin(), v.end(), VectorRange(c_MergeWith), back_inserter(vmerged));
PrintVector (vmerged);
v.assign (first, last);
cout << "inplace_merge with (3,5,10,11,11,14)\n";
v.insert (v.end(), VectorRange(c_MergeWith));
inplace_merge (v.begin(), v.end() - VectorSize(c_MergeWith), v.end());
PrintVector (v);
v.assign (first, last);
cout << "remove(13)\n";
remove (v, 13);
PrintVector (v);
v.assign (first, last);
cout << "remove (elements 3, 4, 6, 15, and 45)\n";
vector<uoff_t> toRemove;
toRemove.push_back (3);
toRemove.push_back (4);
toRemove.push_back (6);
toRemove.push_back (15);
toRemove.push_back (45);
typedef index_iterate<intvec_t::iterator, vector<uoff_t>::iterator> riiter_t;
riiter_t rfirst = index_iterator (v.begin(), toRemove.begin());
riiter_t rlast = index_iterator (v.begin(), toRemove.end());
remove (v, rfirst, rlast);
PrintVector (v);
v.assign (first, last);
cout << "unique\n";
unique (v);
PrintVector (v);
v.assign (first, last);
cout << "reverse\n";
reverse (v);
PrintVector (v);
v.assign (first, last);
cout << "lower_bound(10)\n";
PrintVector (v);
cout.format ("10 begins at position %zd\n", abs_distance (v.begin(), lower_bound (v, 10)));
v.assign (first, last);
cout << "upper_bound(10)\n";
PrintVector (v);
cout.format ("10 ends at position %zd\n", abs_distance (v.begin(), upper_bound (v, 10)));
v.assign (first, last);
cout << "equal_range(10)\n";
PrintVector (v);
TestEqualRange (v);
v.assign (first, last);
cout << "sort\n";
reverse (v);
PrintVector (v);
random_shuffle (v);
sort (v);
PrintVector (v);
v.assign (first, last);
cout << "stable_sort\n";
reverse (v);
PrintVector (v);
random_shuffle (v);
stable_sort (v);
PrintVector (v);
v.assign (first, last);
cout << "is_sorted\n";
random_shuffle (v);
const bool bNotSorted = is_sorted (v.begin(), v.end());
sort (v);
const bool bSorted = is_sorted (v.begin(), v.end());
cout << "unsorted=" << bNotSorted << ", sorted=" << bSorted << endl;
v.assign (first, last);
cout << "find_first_of\n";
static const int c_FFO[] = { 10000, -34, 14, 27 };
cout.format ("found 14 at position %zd\n", abs_distance (v.begin(), find_first_of (v.begin(), v.end(), VectorRange(c_FFO))));
v.assign (first, last);
static const int LC1[] = { 3, 1, 4, 1, 5, 9, 3 };
static const int LC2[] = { 3, 1, 4, 2, 8, 5, 7 };
static const int LC3[] = { 1, 2, 3, 4 };
static const int LC4[] = { 1, 2, 3, 4, 5 };
cout << "lexicographical_compare";
cout << "\nLC1 < LC2 == " << lexicographical_compare (VectorRange(LC1), VectorRange(LC2));
cout << "\nLC2 < LC2 == " << lexicographical_compare (VectorRange(LC2), VectorRange(LC2));
cout << "\nLC3 < LC4 == " << lexicographical_compare (VectorRange(LC3), VectorRange(LC4));
cout << "\nLC4 < LC1 == " << lexicographical_compare (VectorRange(LC4), VectorRange(LC1));
cout << "\nLC1 < LC4 == " << lexicographical_compare (VectorRange(LC1), VectorRange(LC4));
cout << "\nmax_element\n";
cout.format ("max element is %d\n", *max_element (v.begin(), v.end()));
v.assign (first, last);
cout << "min_element\n";
cout.format ("min element is %d\n", *min_element (v.begin(), v.end()));
v.assign (first, last);
cout << "partial_sort\n";
reverse (v);
partial_sort (v.begin(), v.iat(v.size() / 2), v.end());
PrintVector (v);
v.assign (first, last);
cout << "partial_sort_copy\n";
reverse (v);
buf.resize (v.size());
partial_sort_copy (v.begin(), v.end(), buf.begin(), buf.end());
PrintVector (buf);
v.assign (first, last);
cout << "partition\n";
partition (v.begin(), v.end(), &is_even);
PrintVector (v);
v.assign (first, last);
cout << "stable_partition\n";
stable_partition (v.begin(), v.end(), &is_even);
PrintVector (v);
v.assign (first, last);
cout << "next_permutation\n";
buf.resize (3);
iota (buf.begin(), buf.end(), 1);
PrintVector (buf);
while (next_permutation (buf.begin(), buf.end()))
PrintVector (buf);
cout << "prev_permutation\n";
reverse (buf);
PrintVector (buf);
while (prev_permutation (buf.begin(), buf.end()))
PrintVector (buf);
v.assign (first, last);
cout << "reverse_copy\n";
buf.resize (v.size());
reverse_copy (v.begin(), v.end(), buf.begin());
PrintVector (buf);
v.assign (first, last);
cout << "rotate_copy\n";
buf.resize (v.size());
rotate_copy (v.begin(), v.iat (v.size() / 3), v.end(), buf.begin());
PrintVector (buf);
v.assign (first, last);
static const int c_Search1[] = { 5, 6, 7, 8, 9 }, c_Search2[] = { 10, 10, 11, 14 };
cout << "search\n";
cout.format ("{5,6,7,8,9} at %zd\n", abs_distance (v.begin(), search (v.begin(), v.end(), VectorRange(c_Search1))));
cout.format ("{10,10,11,14} at %zd\n", abs_distance (v.begin(), search (v.begin(), v.end(), VectorRange(c_Search2))));
cout << "find_end\n";
cout.format ("{5,6,7,8,9} at %zd\n", abs_distance (v.begin(), find_end (v.begin(), v.end(), VectorRange(c_Search1))));
cout.format ("{10,10,11,14} at %zd\n", abs_distance (v.begin(), find_end (v.begin(), v.end(), VectorRange(c_Search2))));
cout << "search_n\n";
cout.format ("{14} at %zd\n", abs_distance (v.begin(), search_n (v.begin(), v.end(), 1, 14)));
cout.format ("{13,13} at %zd\n", abs_distance (v.begin(), search_n (v.begin(), v.end(), 2, 13)));
cout.format ("{10,10,10} at %zd\n", abs_distance (v.begin(), search_n (v.begin(), v.end(), 3, 10)));
v.assign (first, last);
cout << "includes\n";
static const int c_Includes[] = { 5, 14, 15, 18, 20 };
cout << "includes=" << includes (v.begin(), v.end(), VectorRange(c_Includes)-1);
cout << ", not includes=" << includes (v.begin(), v.end(), VectorRange(c_Includes));
cout << endl;
static const int c_Set1[] = { 1, 2, 3, 4, 5, 6 }, c_Set2[] = { 4, 4, 6, 7, 8 };
intvec_t::iterator setEnd;
cout << "set_difference\n";
v.resize (4);
setEnd = set_difference (VectorRange(c_Set1), VectorRange(c_Set2), v.begin());
PrintVector (v);
assert (setEnd == v.end());
cout << "set_symmetric_difference\n";
v.resize (7);
setEnd = set_symmetric_difference (VectorRange(c_Set1), VectorRange(c_Set2), v.begin());
PrintVector (v);
assert (setEnd == v.end());
cout << "set_intersection\n";
v.resize (2);
setEnd = set_intersection (VectorRange(c_Set1), VectorRange(c_Set2), v.begin());
PrintVector (v);
assert (setEnd == v.end());
cout << "set_union\n";
v.resize (9);
setEnd = set_union (VectorRange(c_Set1), VectorRange(c_Set2), v.begin());
PrintVector (v);
assert (setEnd == v.end());
v.assign (first, last);
}
