mojaie

import java.awt.Graphics2D;
import java.awt.Rectangle;
import java.awt.image.BufferedImage;
import java.io.File;
import java.io.FileNotFoundException;
import java.io.FileReader;
import java.io.Reader;
import java.util.ArrayList;
import java.util.List;

mojaie

// 描画キャンパスの設定
Rectangle drawArea = new Rectangle(20, 20, 360, 360);
BufferedImage img = new BufferedImage(400, 400, BufferedImage.TYPE_INT_RGB);
Graphics2D g2 = img.createGraphics();
g2.fillRect(0, 0, 400, 400);
// ジェネレーターの設定
List<IGenerator> generators = new ArrayList<IGenerator>();
generators.add(new BasicBondGenerator());
generators.add(new ExtendedAtomGenerator());
// レンダリング

mojaie

// 水素原子の削除
molecule = (IMolecule) AtomContainerManipulator.removeHydrogens((IAtomContainer) molecule);
// 末端、ヘテロ原子上の水素のみ表示
CDKAtomTypeMatcher matcher = CDKAtomTypeMatcher.getInstance(molecule.getBuilder());
for (IAtom atom : molecule.atoms()) {
    try {
        IAtomType type = matcher.findMatchingAtomType(molecule, atom);
        atom.setImplicitHydrogenCount(
                type.getFormalNeighbourCount() - molecule.getConnectedAtomsCount(atom));
    } catch (CDKException e) {

mojaie

// 3D→2D変換
tructureDiagramGenerator sdg = new StructureDiagramGenerator();
sdg.setMolecule(molecule);
try {
    sdg.generateCoordinates();
} catch (CDKException e) {
    e.printStackTrace();
}
molecule = sdg.getMolecule();

mojaie

Reader reader = null;
try {
    reader = new FileReader(new File("./temp/test/zinc_3929508.sdf"));
} catch (FileNotFoundException e) {
    e.printStackTrace();
}
MDLV2000Reader mdl = new MDLV2000Reader(reader);
IMolecule molecule = null;
try {
    molecule = (IMolecule)mdl.read(new Molecule());

mojaie

<?php

class UsersController extends AppController {

    public function beforeFilter() {
        $this->Auth->allowedActions = array('login');
        parent::beforeFilter();
    }

    public function isAuthorized() {

mojaie

<?php
class TestsController extends AppController {

    public $layout = null;

    public function beforeFilter(){
        //openaccessには誰でもアクセスできる
        $this->Auth->allowedActions = array('openaccess');
        //親クラス（AppController）読み込み
        parent::beforeFilter();

mojaie

<?php
class AppController extends Controller {

    public $components = array('Auth');
    
    public function beforeFilter(){
        $this->Auth->authorize = 'Controller';
        $this->Auth->loginRedirect  = '/';
        $this->Auth->logoutRedirect = '/';
        if ($this->Auth->loggedIn()) {

mojaie

<?php
class TestsController extends AppController {

    public function index() {
        $this->helpers = array('Html');
        debug($this->helpers);
    }

}

mojaie

<?php
class TestsController extends AppController {

    public function index() {
        debug($this->components);
        debug($this->helpers);
        debug($this->actsAs);
    }

}