/bj/BioJava3/src/org/biojava/bio/structure/domain/pdp/CutDomain.java

https://github.com/porkshire/biojava · Java · 185 lines · 137 code · 40 blank · 8 comment · 29 complexity · d0596f1527b99921554121a1584de724 MD5 · raw file

  1. package org.biojava.bio.structure.domain.pdp;
  2. import java.util.ArrayList;
  3. import java.util.List;
  4. import org.biojava.bio.structure.Atom;
  5. public class CutDomain {
  6. int ndom;
  7. List<Domain> domains;
  8. public static boolean verbose = true;
  9. int[][] dist;
  10. Atom[] ca;
  11. public CutDomain(Atom[]ca, PDPDistanceMatrix pdpMatrix){
  12. dist = pdpMatrix.getDist();
  13. this.ca = ca;
  14. ndom = 0;
  15. domains = new ArrayList<Domain>();
  16. }
  17. public void cutDomain(Domain dom, CutSites cut_sites, PDPDistanceMatrix pdpMatrix){
  18. if ( verbose )
  19. System.out.println(" B ... beginning of cutDomain " +dom + " cutsites: " + cut_sites );
  20. /* recursive function to cut input domain into two domains */
  21. int i,site;
  22. Domain dom1 = new Domain();
  23. Domain dom2 = new Domain();
  24. CutValues val = new CutValues();
  25. val.s_min = 100;
  26. val.site2 = 0;
  27. val.first_cut = true;
  28. Cut cut = new Cut();
  29. site = cut.cut(ca,dom,val, dist, pdpMatrix);
  30. if ( verbose )
  31. System.out.println(" S ... site " + dom + " : site: " + site + " val : " + val);
  32. if(site<0) {
  33. /* function cut makes a decision where to cut , returns -1 if no cut */
  34. //memcpy(&domains[ndom],&dom,sizeof(struct Domain));
  35. domains.add(dom);
  36. dom.score = val.s_min;
  37. //dom = domains[ndom];
  38. ndom++;
  39. return;
  40. }
  41. if(verbose)
  42. System.out.println(String.format(" C ... Cutting at position(s): %d %d %f\n",site,val.site2,dom.score));
  43. cut_sites.cut_sites[cut_sites.ncuts++] = site;
  44. /* create new domains: dom1 and dom2*/
  45. dom1.size = 0;
  46. dom1.nseg = 0;
  47. dom2.size = 0;
  48. dom2.nseg = 0;
  49. if(val.site2==0) { /* single cut*/
  50. for(i=0;i<dom.nseg;i++) {
  51. if(site>dom.getSegmentAtPos(i).getTo()) {
  52. dom1.getSegmentAtPos(dom1.nseg).setTo(dom.getSegmentAtPos(i).getTo());
  53. dom1.getSegmentAtPos(dom1.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  54. dom1.nseg++;
  55. dom1.size+=(dom.getSegmentAtPos(i).getTo() - dom.getSegmentAtPos(i).getFrom() + 1);
  56. }
  57. else if(site<dom.getSegmentAtPos(i).getFrom()) {
  58. dom2.getSegmentAtPos(dom2.nseg).setTo(dom.getSegmentAtPos(i).getTo());
  59. dom2.getSegmentAtPos(dom2.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  60. dom2.nseg++;
  61. dom2.size+=(dom.getSegmentAtPos(i).getTo() - dom.getSegmentAtPos(i).getFrom() + 1);
  62. }
  63. else if(site>dom.getSegmentAtPos(i).getFrom() &&
  64. site<dom.getSegmentAtPos(i).getTo()) {
  65. dom1.getSegmentAtPos(dom1.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  66. dom1.getSegmentAtPos(dom1.nseg).setTo(site-1);
  67. dom1.nseg++;
  68. dom1.size+=(site-dom.getSegmentAtPos(i).getFrom());
  69. dom2.getSegmentAtPos(dom2.nseg).setTo(dom.getSegmentAtPos(i).getTo());
  70. dom2.getSegmentAtPos(dom2.nseg).setFrom(site);
  71. dom2.nseg++;
  72. dom2.size+=(dom.getSegmentAtPos(i).getTo()-site+1);
  73. }
  74. }
  75. }
  76. else if(val.site2>0) { /* double cut */
  77. for(i=0;i<dom.nseg;i++) {
  78. if(site>dom.getSegmentAtPos(i).getTo()||val.site2<dom.getSegmentAtPos(i).getFrom()) {
  79. dom1.getSegmentAtPos(dom1.nseg).setTo(dom.getSegmentAtPos(i).getTo());
  80. dom1.getSegmentAtPos(dom1.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  81. dom1.nseg++;
  82. dom1.size+=(dom.getSegmentAtPos(i).getTo() - dom.getSegmentAtPos(i).getFrom() + 1);
  83. }
  84. else if(site<dom.getSegmentAtPos(i).getFrom()&&val.site2>dom.getSegmentAtPos(i).getTo()) {
  85. dom2.getSegmentAtPos(dom1.nseg).setTo(dom.getSegmentAtPos(i).getTo());
  86. dom2.getSegmentAtPos(dom1.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  87. dom2.nseg++;
  88. dom2.size+=(dom.getSegmentAtPos(i).getTo() - dom.getSegmentAtPos(i).getFrom() + 1);
  89. }
  90. else if(site>dom.getSegmentAtPos(i).getFrom() &&
  91. site<dom.getSegmentAtPos(i).getTo()) {
  92. dom1.getSegmentAtPos(dom1.nseg).setTo(site);
  93. dom1.getSegmentAtPos(dom1.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  94. dom1.size+=(dom1.getSegmentAtPos(dom1.nseg).getTo() - dom1.getSegmentAtPos(dom1.nseg).getFrom() + 1);
  95. dom1.nseg++;
  96. dom2.getSegmentAtPos(dom2.nseg).setFrom(site+1);
  97. if(val.site2>dom.getSegmentAtPos(i).getFrom() &&
  98. val.site2<dom.getSegmentAtPos(i).getTo()) {
  99. dom2.getSegmentAtPos(dom2.nseg).setTo(val.site2-1);
  100. dom2.size+=(dom2.getSegmentAtPos(dom2.nseg).getTo() - dom2.getSegmentAtPos(dom2.nseg).getFrom() + 1);
  101. dom2.nseg++;
  102. dom1.getSegmentAtPos(dom1.nseg).setFrom( val.site2);
  103. dom1.getSegmentAtPos(dom1.nseg).setTo( dom.getSegmentAtPos(i).getTo());
  104. dom1.size+=(dom1.getSegmentAtPos(dom1.nseg).getTo() - dom1.getSegmentAtPos(dom1.nseg).getFrom() + 1);
  105. dom1.nseg++;
  106. }
  107. else {
  108. dom2.getSegmentAtPos(dom2.nseg).setTo(dom.getSegmentAtPos(i).getTo());
  109. dom2.size+=(dom2.getSegmentAtPos(dom2.nseg).getTo() - dom2.getSegmentAtPos(dom2.nseg).getFrom() + 1);
  110. dom2.nseg++;
  111. }
  112. }
  113. else if(val.site2>dom.getSegmentAtPos(i).getFrom() &&
  114. val.site2<dom.getSegmentAtPos(i).getTo()) {
  115. dom2.getSegmentAtPos(dom2.nseg).setTo(val.site2-1);
  116. dom2.getSegmentAtPos(dom2.nseg).setFrom(dom.getSegmentAtPos(i).getFrom());
  117. dom2.size+=(dom2.getSegmentAtPos(dom2.nseg).getTo() - dom2.getSegmentAtPos(dom2.nseg).getFrom() + 1);
  118. dom2.nseg++;
  119. dom1.getSegmentAtPos(dom1.nseg).setFrom(val.site2);
  120. dom1.getSegmentAtPos(dom1.nseg).setTo( dom.getSegmentAtPos(i).getTo());
  121. dom1.size+=(dom1.getSegmentAtPos(dom1.nseg).getTo() - dom1.getSegmentAtPos(dom1.nseg).getFrom() + 1);
  122. dom1.nseg++;
  123. }
  124. }
  125. }
  126. if(verbose)
  127. System.out.println(String.format(" CUTR dom1 ... nseg %d",dom1.nseg));
  128. if ( verbose)
  129. for(i=0;i<dom1.nseg;i++)
  130. System.out.println(String.format(" F ... from %d to %d",dom1.getSegmentAtPos(i).getFrom(),dom1.getSegmentAtPos(i).getTo()));
  131. cutDomain(dom1, cut_sites, pdpMatrix);
  132. if(verbose)
  133. System.out.println(String.format(" C ... cutr dom2: nseg %d",dom2.nseg));
  134. if(verbose)
  135. for(i=0;i<dom2.nseg;i++)
  136. System.out.println(String.format(" F ... from %d to %d",dom2.getSegmentAtPos(i).getFrom(),dom2.getSegmentAtPos(i).getTo()));
  137. cutDomain(dom2, cut_sites, pdpMatrix);
  138. //System.out.println("end of cutDomain 0 " +dom);
  139. //System.out.println("end of cutDomain 1 " +dom1);
  140. //System.out.println("end of cutDomain 2 " +dom2);
  141. }
  142. public List<Domain> getDomains() {
  143. return domains;
  144. }
  145. }