C++ array::back方法代码示例

						static void call( array<as_value> & stack, int arg_count )
						{
							as_object* obj = stack.back().to_object();
							stack.resize(stack.size() - 1);
							for (int i = 0; i < arg_count; i++)
							{
								as_value& val = stack.back();
								stack.resize(stack.size() - 1);
							}

							//TODO: construct super of obj

							IF_VERBOSE_ACTION(log_msg("EX: constructsuper\t 0x%p(args:%d)\n", obj, arg_count));
						}

int main(int argc, char* argv[])
{
	if (argc < 3)
	{
		cout << "score sample.bin output.bin" << endl;
		return 1;
	}
	const size_t num_usrs = 2;
	constexpr array<size_t, num_usrs> qn{{ 12, 60 }};
	constexpr array<double, num_usrs> qv{{ 1.0 / qn[0], 1.0 / qn[1] }};
	const auto qs = read<array<double, qn.back()>>(argv[1]);
	const auto ls = read<array<double, qn.back()>>(argv[2]);
	cout.setf(ios::fixed, ios::floatfield);
	cout << setprecision(8);
	for (const auto& q : qs)
	{
		for (const auto& l : ls)
		{
			double s = 0;
			#pragma unroll
			for (size_t i = 0, u = 0; u < num_usrs; ++u)
			{
				const auto qnu = qn[u];
				#pragma unroll
				for (; i < qnu; ++i)
				{
					s += fabs(q[i] - l[i]);
				}
				cout << 1 / (1 + s * qv[u]);
				if (u) cout << endl;
				else cout << '\t';
			}
		}
	}
}

void	draw_stuff(const controls& c, float density)
{
	float	mx = c.m_mouse_x - 500.0f;
	float	my = 500.0f - c.m_mouse_y;
	vec3	mouse_pos(mx, my, 0);

	if (c.m_mouse_right)
	{
		// Re-compute light direction.
		s_light_direction = mouse_pos - s_light_arrow_spot;
		s_light_direction.normalize();

		// Direction perpendicular to the light.
		s_light_right = vec3(s_light_direction.y, -s_light_direction.x, 0);

		// Draw a white line to the mouse, so the user can see
		// what they're orbiting around.
		glColor3f(1, 1, 1);
		draw_segment(s_light_arrow_spot, mouse_pos);
	}

	if (c.m_mouse_left_click)
	{
		// Add or delete an occluder.

		// If we're on an occluder, then delete it.
		bool	deleted = false;
		for (int i = 0; i < s_occluders.size(); i++)
		{
			if (s_occluders[i].hit(mouse_pos))
			{
				// Remove this guy.
				s_occluders[i] = s_occluders.back();
				s_occluders.resize(s_occluders.size() - 1);
				deleted = true;
				break;
			}
		}

		if (!deleted)
		{
			// If we didn't delete, then the user want to
			// add an occluder.
			s_occluders.push_back(occluder(mouse_pos, 20));
		}
	}

	draw_light_arrow();
	draw_light_rays(density);
	draw_occluders();

	// Draw a line at the "near clip plane".
	glColor3f(0, 0, 1);
	draw_segment(vec3(-1000, s_viewer_y, 0), vec3(1000, s_viewer_y, 0));

	draw_frustum();
}

static void con_add_buffer_line(const con_priority priority, const char *const buffer, const size_t len)
{
	/* shift con_buffer for one line */
	std::move(std::next(con_buffer.begin()), con_buffer.end(), con_buffer.begin());
	console_buffer &c = con_buffer.back();
	c.priority=priority;

	size_t copy = std::min(len, CON_LINE_LENGTH - 1);
	c.line[copy] = 0;
	memcpy(&c.line,buffer, copy);
}

 T extractMax(){
     if(A.size() < 1){
         printf("error: empty queue\n");
         return 0;
     }
     T max = A[0];
     A[0] = A.back();
     A.pop_back();
     maxHeapify(1,A.size());
     return max;
 }

static string get_nc_string(const NcFile& ncf, const string& name, int offset = 0, bool required = true)
{
	static array<long, 2> offsets = {{0, 0}};
	static array<long, 2> counts = {{1, 0}};
	NcVar *v = load_nc_variable(ncf, name.c_str(), required);
	if (v)
	{
		long* shape = v->edges();
		offsets.front() = offset;
		counts.back() = shape[1];
		v->set_cur(&offsets.front());
		char* temp = new char [shape[1]];
		delete shape;
		bool success = v->get(temp, &counts.front());
		if(!success)
		{
			check(!required, " index " + str(offset) + " out of bounds for " + name + " in netcdf file");
		}
		string s(temp);
		delete [] temp;
		return s;
	}
	return "";
}

int main(int argc, char* argv[])
{
	// Check the required number of command line arguments.
	if (argc != 5)
	{
		cout << "usr host user pwd jobs_path" << endl;
		return 0;
	}

	// Fetch command line arguments.
	const auto host = argv[1];
	const auto user = argv[2];
	const auto pwd = argv[3];
	const path jobs_path = argv[4];

	// Connect to host and authenticate user.
	DBClientConnection conn;
	{
		cout << local_time() << "Connecting to " << host << " and authenticating " << user << endl;
		string errmsg;
		if ((!conn.connect(host, errmsg)) || (!conn.auth("istar", user, pwd, errmsg)))
		{
			cerr << local_time() << errmsg << endl;
			return 1;
		}
	}

	// Initialize constants.
	cout << local_time() << "Initializing" << endl;
	const auto collection = "istar.usr";
	const auto epoch = date(1970, 1, 1);
	const size_t num_usrs = 2;
	constexpr array<size_t, num_usrs> qn{{ 12, 60 }};
	constexpr array<double, num_usrs> qv{{ 1.0 / qn[0], 1.0 / qn[1] }};
	const size_t num_references = 4;
	const size_t num_subsets = 5;
	const array<string, num_subsets> SubsetSMARTS
	{{
		"[!#1]", // heavy
		"[#6+0!$(*~[#7,#8,F]),SH0+0v2,s+0,S^3,Cl+0,Br+0,I+0]", // hydrophobic
		"[a]", // aromatic
		"[$([O,S;H1;v2]-[!$(*=[O,N,P,S])]),$([O,S;H0;v2]),$([O,S;-]),$([N&v3;H1,H2]-[!$(*=[O,N,P,S])]),$([N;v3;H0]),$([n,o,s;+0]),F]", // acceptor
		"[N!H0v3,N!H0+v4,OH+0,SH+0,nH+0]", // donor
	}};

	// Initialize variables.
	array<array<double, qn.back()>, 1> qw;
	array<array<double, qn.back()>, 1> lw;
	auto q = qw[0];
	auto l = lw[0];

	// Read ZINC ID file.
	const string_array<size_t> zincids("16_zincid.txt");
	const auto num_ligands = zincids.size();

	// Read SMILES file.
	const string_array<size_t> smileses("16_smiles.txt");
	assert(smileses.size() == num_ligands);

	// Read supplier file.
	const string_array<size_t> suppliers("16_supplier.txt");
	assert(suppliers.size() == num_ligands);

	// Read property files of floating point types and integer types.
	const auto zfproperties = read<array<float, 4>>("16_zfprop.f32");
	assert(zfproperties.size() == num_ligands);
	const auto ziproperties = read<array<int16_t, 5>>("16_ziprop.i16");
	assert(ziproperties.size() == num_ligands);

	// Open files for subsequent reading.
	std::ifstream usrcat_bin("16_usrcat.f64");
	stream_array<size_t> ligands("16_ligand.pdbqt");
	assert(ligands.size() == num_ligands);
	array<vector<double>, 2> scores
	{{
		vector<double>(num_ligands, 0),
		vector<double>(num_ligands, 0)
	}};
	const auto& u0scores = scores[0];
	const auto& u1scores = scores[1];
	vector<size_t> scase(num_ligands);

	// Enter event loop.
	cout << local_time() << "Entering event loop" << endl;
	bool sleeping = false;
	while (true)
	{
		// Fetch an incompleted job in a first-come-first-served manner.
		if (!sleeping) cout << local_time() << "Fetching an incompleted job" << endl;
		BSONObj info;
		conn.runCommand("istar", BSON("findandmodify" << "usr" << "query" << BSON("done" << BSON("$exists" << false) << "started" << BSON("$exists" << false)) << "sort" << BSON("submitted" << 1) << "update" << BSON("$set" << BSON("started" << Date_t(duration_cast<std::chrono::milliseconds>(system_clock::now().time_since_epoch()).count())))), info); // conn.findAndModify() is available since MongoDB C++ Driver legacy-1.0.0
		const auto value = info["value"];
		if (value.isNull())
		{
			// No incompleted jobs. Sleep for a while.
			if (!sleeping) cout << local_time() << "Sleeping" << endl;
			sleeping = true;
			this_thread::sleep_for(chrono::seconds(10));
			continue;
		}
//.........这里部分代码省略.........

int main(int argc, char* argv[])
{
	// Check the required number of command line arguments.
	if (argc != 5)
	{
		cout << "usr host user pwd jobs_path" << endl;
		return 0;
	}

	// Fetch command line arguments.
	const auto host = argv[1];
	const auto user = argv[2];
	const auto pwd = argv[3];
	const path jobs_path = argv[4];

	DBClientConnection conn;
	{
		// Connect to host and authenticate user.
		cout << local_time() << "Connecting to " << host << " and authenticating " << user << endl;
		string errmsg;
		if ((!conn.connect(host, errmsg)) || (!conn.auth("istar", user, pwd, errmsg)))
		{
			cerr << local_time() << errmsg << endl;
			return 1;
		}
	}

	// Initialize constants.
	cout << local_time() << "Initializing" << endl;
	const auto collection = "istar.usr2";
	const size_t num_usrs = 2;
	const array<string, 2> usr_names{{ "USR", "USRCAT" }};
	constexpr array<size_t, num_usrs> qn{{ 12, 60 }};
	constexpr array<double, num_usrs> qv{{ 1.0 / qn[0], 1.0 / qn[1] }};
	const size_t num_refPoints = 4;
	const size_t num_subsets = 5;
	const array<string, num_subsets> SubsetSMARTS
	{{
		"[!#1]", // heavy
		"[#6+0!$(*~[#7,#8,F]),SH0+0v2,s+0,S^3,Cl+0,Br+0,I+0]", // hydrophobic
		"[a]", // aromatic
		"[$([O,S;H1;v2]-[!$(*=[O,N,P,S])]),$([O,S;H0;v2]),$([O,S;-]),$([N&v3;H1,H2]-[!$(*=[O,N,P,S])]),$([N;v3;H0]),$([n,o,s;+0]),F]", // acceptor
		"[N!H0v3,N!H0+v4,OH+0,SH+0,nH+0]", // donor
	}};
	const size_t num_hits = 100;

	// Wrap SMARTS strings to RWMol objects.
	array<unique_ptr<ROMol>, num_subsets> SubsetMols;
	for (size_t k = 0; k < num_subsets; ++k)
	{
		SubsetMols[k].reset(reinterpret_cast<ROMol*>(SmartsToMol(SubsetSMARTS[k])));
	}

	// Read ZINC ID file.
	const string_array<size_t> zincids("16/zincid.txt");
	const auto num_ligands = zincids.size();
	cout << local_time() << "Found " << num_ligands << " database molecules" << endl;

	// Read SMILES file.
	const string_array<size_t> smileses("16/smiles.txt");
	assert(smileses.size() == num_ligands);

	// Read supplier file.
	const string_array<size_t> suppliers("16/supplier.txt");
	assert(suppliers.size() == num_ligands);

	// Read property files of floating point types and integer types.
	const auto zfproperties = read<array<float, 4>>("16/zfprop.f32");
	assert(zfproperties.size() == num_ligands);
	const auto ziproperties = read<array<int16_t, 5>>("16/ziprop.i16");
	assert(ziproperties.size() == num_ligands);

	// Read cumulative number of conformers file.
	const auto mconfss = read<size_t>("16/mconfs.u64");
	const auto num_conformers = mconfss.back();
	assert(mconfss.size() == num_ligands);
	assert(num_conformers >= num_ligands);
	cout << local_time() << "Found " << num_conformers << " database conformers" << endl;

	// Read feature file.
	const auto features = read<array<double, qn.back()>>("16/usrcat.f64");
	assert(features.size() == num_conformers);

	// Read ligand footer file and open ligand SDF file for seeking and reading.
	stream_array<size_t> ligands("16/ligand.sdf");
	assert(ligands.size() == num_conformers);

	// Initialize variables.
	array<vector<int>, num_subsets> subsets;
	array<vector<double>, num_refPoints> dista;
	alignas(32) array<double, qn.back()> q;

	// Initialize vectors to store compounds' primary score and their corresponding conformer.
	vector<double> scores(num_ligands); // Primary score of molecules.
	vector<size_t> cnfids(num_ligands); // ID of conformer with the best primary score.
	const auto compare = [&](const size_t val0, const size_t val1) // Sort by the primary score.
	{
		return scores[val0] < scores[val1];
	};

//.........这里部分代码省略.........

//============================================================================
// write_bits
//============================================================================
void write_bits(array<uint8> &comp_data_, unsigned &bit_pos_, unsigned num_bits_, uint8 v_)
{
  // write given number of bits to the arrays
  if(!bit_pos_)
    comp_data_.push_back(0);
  comp_data_.back()|=v_<<bit_pos_;
  bit_pos_+=num_bits_;
  if(bit_pos_>7)
  {
    bit_pos_-=8;
    if(bit_pos_)
    {
      comp_data_.push_back(0);
      comp_data_.back()|=v_>>(num_bits_-bit_pos_);
    }
  }